data_2cp9_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 2cp9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.703 0.287 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -50.44 -40.03 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.32 -31.78 58.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.31 -41.82 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.1 mtp -65.43 -38.04 88.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -70.59 -48.62 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -64.69 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 tmm_? -67.99 -46.53 71.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -80.63 -32.97 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -66.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.5 p -78.53 -51.56 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.19 -13.74 21.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -68.37 152.27 45.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -50.1 161.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 17' ' ' ARG . 45.8 m-85 -59.13 -51.59 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -49.2 -38.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -65.42 -67.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -41.79 -43.89 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.05 -46.48 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -59.21 -53.89 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -58.53 -33.44 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.48 -35.79 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.27 -42.14 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -64.97 -33.08 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 19.5 p -91.24 -46.51 8.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 109.39 56.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.4 56.8 22.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 4.1 m-20 -132.06 87.97 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 4.9 mt -34.41 -46.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -63.06 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.62 -7.84 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -96.98 -36.94 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.72 -37.23 70.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 mt -69.41 -38.91 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -56.25 -72.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' TRP . 32.9 mt -35.92 -57.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -52.07 -48.57 64.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -58.69 -55.55 33.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 17.4 mm-40 -50.11 -43.54 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.22 80.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -52.65 -43.35 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -75.08 -64.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -53.47 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' LEU . 21.9 ttpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.6 pt-20 -37.39 -48.75 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 22.5 mt -65.93 -38.41 88.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD22 ' CE2' ' A' ' 24' ' ' PHE . 22.9 tp -61.43 -37.49 83.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 80.2 mtp -79.99 -32.2 39.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -67.35 -40.76 85.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 27' ' ' CYS . 54.1 tp -67.34 -44.03 80.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.3 ttt180 -37.83 -58.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -54.49 -51.13 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 p -107.22 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 118.44 -25.3 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -44.1 159.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -47.83 176.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.544 ' CE2' HD22 ' A' ' 13' ' ' LEU . 2.1 t80 -80.81 -45.59 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.7 -42.97 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.83 -58.73 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.425 ' CB ' HD22 ' A' ' 16' ' ' LEU . 69.0 m -40.38 -49.35 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -54.57 -42.18 70.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -65.64 -39.63 91.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.24 78.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.09 -60.34 3.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -48.37 -54.16 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.0 m -61.34 -34.33 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 91.2 m -99.34 43.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 34.55 62.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.6 65.01 0.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.7 t0 -126.05 125.51 42.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.4 mm? -70.82 -40.59 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -63.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.38 -10.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -72.61 -49.71 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.59 -51.45 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.4 mt -49.61 -51.6 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 59.9 t90 -51.61 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' TRP . 27.3 mt -36.49 -48.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -59.69 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -55.75 -44.81 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -68.12 -38.48 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.22 -34.48 76.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.88 -40.39 20.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.6 -43.36 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.19 -61.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 14.1 tptm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -44.91 -48.08 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.68 -37.33 86.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.61 -39.18 84.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.458 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 32.7 mmm -67.03 -37.26 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -76.78 -45.85 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.8 tp -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.563 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 3.9 tpt180 -59.84 -44.48 94.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.49 -22.64 35.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -70.54 -40.39 73.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.7 p -105.74 -46.8 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.66 -28.67 8.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -51.44 151.01 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -54.25 145.2 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 52.6 m-85 -43.2 -48.87 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.22 -52.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -54.15 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.0 m -47.83 -46.04 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -33.47 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 26.5 tptt -76.63 -71.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -44.92 -33.69 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.5 mt -60.65 -44.17 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -78.79 -51.39 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -49.84 -31.66 12.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -101.38 -40.29 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 109.79 78.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 34.4 39.38 0.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 14.2 t0 -111.7 93.43 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mp -45.24 -59.94 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -52.81 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 11.7 mm-40 -62.25 -8.25 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -93.9 -33.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 13.2 tt0 -70.39 -36.77 74.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.3 mt -66.49 -41.41 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 89.2 t90 -57.48 -59.42 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -43.76 -45.25 7.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-70 -63.48 -43.93 95.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -59.32 -42.41 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 mm-40 -70.02 -38.65 75.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.33 90.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -76.65 -43.79 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.72 -45.67 81.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.58 -59.11 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -43.75 -45.53 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.09 -40.14 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.61 -36.91 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 19.4 mttt -70.18 -42.44 72.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -68.09 -41.77 81.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.533 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 2.3 tmt_? -54.35 -56.97 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -64.59 -34.43 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -58.17 -53.56 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 51.7 p -87.24 -57.41 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.2 -21.48 8.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.05 165.85 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -44.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 84.3 m-85 -73.44 -64.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . 90.0 t -34.13 -54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -61.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 4.9 m -47.47 -45.86 26.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.42 -53.39 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -56.53 -46.05 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.55 78.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 mt -56.59 -45.87 81.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.28 -65.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.3 m -40.92 -41.13 1.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.0 -72.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.67 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.8 28.77 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -107.03 96.25 6.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 3.2 mm? -42.31 -37.18 1.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -72.52 -64.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 37' ' ' ASP . 11.3 mm-40 -53.26 -15.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -87.94 -44.98 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 13.8 tt0 -58.47 -37.42 75.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.79 -50.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -51.87 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 mt -40.31 -52.55 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -56.37 -52.62 63.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -51.95 -54.17 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -41.6 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.31 74.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -57.07 -39.33 74.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -74.94 -70.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -53.92 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.6 ptmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.755 0.312 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.1 tt0 -47.93 -46.83 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.56 -40.71 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 24' ' ' PHE . 4.0 tp -59.69 -32.3 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.1 mmt -73.77 -35.62 64.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -75.26 -59.67 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -44.38 -38.99 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -54.7 -50.52 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.69 1.82 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -104.45 -42.03 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -106.23 -52.51 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.62 -31.7 5.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -40.35 153.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -59.95 169.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' HD21 ' A' ' 13' ' ' LEU . 9.2 m-85 -62.7 -49.97 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.4 m -46.7 -42.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -67.73 -70.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.2 m -43.01 -38.27 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -61.37 -37.33 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 3.1 tppp? -73.59 -71.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.56 -39.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 17.5 mt -57.38 -58.04 10.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.87 -64.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 m -45.28 -40.7 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.8 -23.71 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 98.13 62.66 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 41.56 48.6 4.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 2.8 t70 -117.94 129.87 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mp -76.37 -36.27 58.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -76.47 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -57.31 -12.43 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -80.14 -51.43 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.512 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 6.8 tt0 -49.87 -47.15 52.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.83 -46.99 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.556 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 85.4 t90 -53.56 -58.77 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -48.33 -50.56 29.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 34.5 m-70 -58.9 -39.66 82.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -65.44 -46.93 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -65.83 -37.97 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.2 83.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -79.86 -44.71 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -63.99 -44.99 91.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.88 -53.91 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.3 ptmm? . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.2 tp10 -50.73 -42.79 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.83 -36.75 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.29 -43.48 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.6 mmm -60.43 -37.44 80.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.79 -48.88 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.78 -17.92 39.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 14.7 ttp85 -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 4.0 ptm85 -85.8 6.49 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -104.67 -46.26 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 22' ' ' TYR . 56.9 p -99.35 -37.92 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.2 30.14 55.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 8.4 m-85 -103.92 164.49 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -50.47 141.12 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 13.8 m-85 -42.77 -62.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -47.6 -46.82 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.44 -64.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.1 m -45.26 -46.46 12.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -57.15 -45.72 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -61.0 -36.7 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.14 87.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.98 -35.26 80.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.86 -55.16 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.507 HG21 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -56.07 -41.91 75.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 33' ' ' THR . 90.9 m -74.88 -55.0 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.21 49.78 0.4 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.64 93.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.4 m-20 -122.4 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.1 mm? -34.23 -38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -61.76 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' ALA . 26.4 mm-40 -59.1 -47.14 86.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.94 -42.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 5.8 tt0 -68.26 -51.05 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' GLN . 37.2 mt -53.3 -33.85 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 75.1 t90 -67.43 -70.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TRP . 59.0 mt -37.37 -55.62 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 m-70 -53.9 -43.73 69.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -61.01 -57.22 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -54.43 -43.52 71.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.19 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.07 -39.74 60.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -79.77 -64.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -60.49 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.744 0.306 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -39.94 -60.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -50.64 -42.74 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.24 -41.28 97.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mmm -62.26 -39.73 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -70.16 -44.55 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 tp -68.35 -30.91 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.0 tpt180 -63.13 -35.78 81.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.22 -37.54 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -59.95 -41.61 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 p -99.76 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.23 -30.7 8.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -50.71 142.16 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -44.91 156.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.49 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 38.8 m-85 -51.41 -60.51 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' PHE . 83.2 t -35.56 -53.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -57.12 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.9 -61.17 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -40.72 -49.62 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -58.43 -42.34 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -52.36 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 38' ' ' LEU . 21.1 mt -55.05 -38.55 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.48 -60.83 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.1 m -51.01 -35.79 36.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.2 m -81.6 -48.19 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.2 65.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.28 43.41 5.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.4 m-20 -117.87 76.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 31' ' ' LEU . 5.5 mt -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -53.4 -61.52 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' ALA . 1.3 mm-40 -60.58 -49.09 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.69 -45.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mt -50.05 -37.19 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -68.41 -55.5 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.98 -56.57 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -56.91 -40.65 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -60.49 -40.68 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.29 -34.65 65.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.15 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.12 -43.79 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -62.4 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -86.33 -48.95 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' LEU . 18.4 tttp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.751 0.31 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' LYS . 3.5 tp10 -36.01 -49.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.83 -39.54 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' LYS . 11.4 tp -60.36 -41.29 93.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.446 ' HE1' ' CE ' ' A' ' 10' ' ' LYS . 41.0 mtm -71.29 -40.78 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.01 -40.11 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.45 -35.41 77.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLY . 27.5 ttp85 -59.93 -43.95 94.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -76.57 -30.43 57.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.86 -43.64 83.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 -53.85 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 124.45 -29.29 5.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -45.65 171.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.382 . . . . 0.0 110.938 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 2.5 t -78.81 177.61 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -68.56 -53.87 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -43.96 -52.53 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.53 -59.05 5.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 23' ' ' SER . 77.1 m -44.65 -57.53 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -44.71 -40.38 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -67.1 -50.25 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.08 -54.34 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.19 -35.34 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.27 -57.94 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.9 m -57.5 -33.59 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.4 m -80.02 -57.71 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 58.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.44 40.24 61.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.433 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.91 109.77 15.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 38' ' ' LEU . 4.1 mm? -60.37 -41.21 93.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -59.56 -61.64 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ALA . 5.8 mm-40 -60.06 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.53 -49.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.1 tt0 -61.84 -61.81 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.1 mt -42.5 -39.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.14 -65.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -47.96 -52.95 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 12.5 m-70 -58.23 -44.68 88.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.08 -43.11 91.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.22 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -43.33 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -76.14 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -52.48 -62.34 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 tttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.725 0.297 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -44.34 -55.08 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -57.18 -41.14 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.13 -42.64 95.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.99 -23.97 59.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.69 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 38' ' ' LEU . 21.2 tp -54.35 -23.33 15.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 3.3 ttt180 -63.36 -49.95 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -77.75 7.35 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.79 -50.04 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 p -104.79 -36.1 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -28.9 13.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' A' ' 45' ' ' LEU . 44.2 m-85 -42.23 148.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m -61.09 151.41 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.428 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 68.7 m-85 -38.59 -61.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' PHE . 80.8 t -36.92 -54.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -54.15 -66.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -42.54 -44.48 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -53.01 -37.43 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.7 tptt -73.04 -71.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -40.77 -41.63 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.31 -36.59 84.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.0 mm-40 -73.78 -48.86 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.5 m -65.55 -33.83 76.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 m -81.62 -51.87 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.0 57.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.71 41.62 50.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' LEU . 47.9 m-20 -118.86 76.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' CD1' HD13 ' A' ' 12' ' ' LEU . 3.0 mp -34.4 -47.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -53.27 -59.87 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' HD11 ' A' ' 43' ' ' ILE . 18.1 mm-40 -60.46 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.88 -49.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -52.62 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 HD11 ' NE2' ' A' ' 40' ' ' GLN . 27.4 mt -54.02 -40.46 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.01 -56.29 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 22' ' ' TYR . 28.2 mt -48.84 -58.58 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -53.59 -51.94 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -50.82 -39.96 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -72.49 -39.33 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.47 79.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.96 -41.0 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -63.14 -53.72 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.14 -53.24 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.731 0.301 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 3.8 pt-20 -48.49 -54.03 15.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 38' ' ' LEU . 3.4 mm? -57.6 -45.07 85.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.57 -32.96 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.4 mtp -83.64 -19.76 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -78.15 -40.66 37.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 tp -73.44 -35.72 65.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -58.79 -44.22 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -78.66 6.48 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -109.31 -41.0 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.5 p -109.67 -46.7 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' TYR . . . 109.51 -33.74 5.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 45.9 m-85 -37.5 146.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -41.66 146.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -51.41 -47.19 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.74 -47.19 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -59.8 -44.62 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 m -58.25 -51.08 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -48.24 -46.36 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -58.99 -40.33 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.38 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' GLY . 19.2 mt -63.04 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.62 -44.84 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.466 HG22 ' NE1' ' A' ' 44' ' ' TRP . 90.5 m -69.92 -26.63 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -95.7 -22.52 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 87.65 68.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.35 34.8 9.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 18.7 t0 -102.24 121.03 41.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.9 mm? -74.57 -43.19 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -68.58 -55.91 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 1.5 mm-40 -62.88 -32.82 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -48.61 -54.63 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.4 tt0 -62.16 -55.1 32.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -46.15 -37.14 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' NE1' HG22 ' A' ' 33' ' ' THR . 84.6 t90 -67.17 -60.14 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -43.27 -57.37 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 42.2 m-70 -55.06 -51.38 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -50.9 -43.77 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -73.6 -32.02 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.52 -22.43 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -99.74 -33.66 10.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -72.2 -52.44 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.27 -57.08 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.698 0.285 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -44.64 -58.76 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 12' ' ' LEU . 3.7 mm? -54.71 -42.7 71.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.24 -46.04 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.3 mmm -56.67 -42.45 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -69.13 -41.58 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.9 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 ttp85 -40.69 -49.59 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -80.24 -37.5 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -50.56 -39.77 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 p -110.29 -46.23 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.85 32.62 12.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -105.86 178.97 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -58.45 142.41 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.556 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 10.9 m-85 -48.22 -57.46 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.49 -44.42 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.5 -54.3 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 m -50.42 -44.8 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -58.26 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -49.02 -46.9 44.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.25 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.14 -27.14 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -83.16 -50.45 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -60.6 -40.85 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' THR . 45.5 m -74.66 -61.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 48.96 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.57 40.45 96.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.1 m-20 -119.83 83.87 2.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.9 mp -35.15 -41.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.91 -60.65 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' ALA . 10.8 mm100 -60.83 -49.23 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.56 -50.06 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -57.1 -57.6 11.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -45.68 -47.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CD1' HG21 ' A' ' 33' ' ' THR . 70.6 t90 -54.17 -66.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -43.77 -41.84 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -67.11 -40.68 86.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -61.38 -50.59 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 21.6 mm-40 -62.3 -40.14 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.19 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.03 -37.66 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' CE ' ' OE2' ' A' ' 48' ' ' GLU . 17.9 mtmm -85.72 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -47.4 -63.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -45.99 -65.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 12' ' ' LEU . 3.5 mm? -46.04 -40.8 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 tp -67.09 -38.52 85.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.3 mmm -69.42 -34.59 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -73.39 -40.27 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 tp -70.24 -46.57 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -40.31 -48.15 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.32 -32.13 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -57.96 -40.01 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -111.34 -46.47 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.66 -34.2 4.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -41.0 139.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -42.94 150.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 27.3 m-85 -49.58 -53.85 21.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -49.77 -44.78 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.8 -57.48 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.04 -51.54 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -47.35 -45.29 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -60.79 -44.63 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -63.19 -45.24 92.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLY . 21.3 mt -59.74 -37.63 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.59 -48.14 50.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -65.04 -24.65 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 69.9 m -101.96 -19.15 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 81.43 74.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.55 33.96 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 7.4 t0 -101.59 108.92 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.75 -52.58 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -58.78 -62.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 5.3 mm-40 -56.52 -39.75 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -41.47 -52.89 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 9.2 tt0 -62.99 -54.88 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.1 mt -44.94 -40.29 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 30' ' ' ALA . 46.4 t90 -63.99 -61.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.7 mt -44.43 -60.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 23.4 m-70 -49.22 -46.55 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -56.99 -49.58 75.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.35 81.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.49 -42.95 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -76.7 -63.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.97 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.746 0.307 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LYS . 10.2 tp10 -37.55 -58.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.64 -40.9 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD22 ' CE2' ' A' ' 24' ' ' PHE . 26.2 tp -60.4 -40.45 90.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.11 -37.55 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -66.48 -45.75 78.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 25.4 tp -62.88 -36.24 82.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.1 tpt85 -55.44 -48.58 74.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.8 ptt180 -76.8 -38.93 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -57.29 -43.89 83.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 p -101.43 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 110.33 -31.76 7.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -43.71 166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -46.55 173.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.553 ' CE2' HD22 ' A' ' 13' ' ' LEU . 2.0 t80 -79.36 -53.36 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -56.19 -44.05 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -55.1 -62.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -40.4 -52.27 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -46.61 -55.29 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.5 -39.39 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.56 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.54 -47.2 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.18 -66.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 m -48.65 -42.64 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.93 -37.78 76.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.54 58.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.0 52.25 27.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 103.44 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.5 mm? -56.87 -37.74 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -61.6 -57.6 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' ALA . 15.4 mm-40 -62.13 -50.76 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . . . -33.61 -48.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 7.9 tt0 -62.95 -53.72 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mt -53.66 -40.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -63.68 -61.1 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.24 -58.4 3.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.7 m-70 -50.55 -49.0 57.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -54.65 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.89 -33.65 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.1 -27.45 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.21 -33.37 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -35.99 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.26 105.85 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.76 0.314 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -73.75 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -52.83 -31.91 41.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 24' ' ' PHE . 5.6 tp -66.12 -24.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mmt -78.73 -26.7 44.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 20.7 mtpp -85.62 -47.73 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 27' ' ' CYS . 22.3 tp -52.41 -27.6 16.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -68.31 -43.03 78.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 12.2 ptp180 -77.09 -27.7 54.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -74.25 -47.34 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.6 p -94.14 -56.3 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.88 -19.62 25.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' SER . 65.6 m-85 -56.8 152.47 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' TYR . 36.4 m -37.62 156.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -62.33 -47.03 86.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.79 -43.75 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -53.26 -56.81 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.465 ' CB ' HD22 ' A' ' 16' ' ' LEU . 84.5 m -49.18 -44.88 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -53.79 -58.77 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -50.74 -37.93 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.84 -32.88 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.31 -51.96 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -58.84 -41.49 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 33' ' ' THR . 19.4 m -73.97 -63.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.89 58.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.45 45.76 29.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 12.1 m-20 -126.68 83.65 2.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.6 mt -33.89 -46.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -56.46 -56.99 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' ILE . 17.4 mm100 -62.47 -51.15 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.41 -48.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 10.1 tt0 -60.28 -48.13 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 81.8 mt -52.75 -44.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CD1' HG23 ' A' ' 33' ' ' THR . 83.5 t90 -61.97 -57.75 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.99 -55.69 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.531 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.0 m-70 -53.94 -48.15 70.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -55.0 -45.22 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.73 -44.3 93.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.27 -43.44 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -53.6 -42.04 67.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -78.55 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -59.0 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG2' ' CE ' ' A' ' 14' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.717 0.294 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.59 -44.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.6 -42.23 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.19 -45.17 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.415 ' CE ' ' HG2' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.62 -39.46 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -66.0 -46.25 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 20' ' ' THR . 7.8 tp -71.75 -33.79 68.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.547 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -44.09 -46.76 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 3.6 ptm85 -79.05 -48.7 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 16' ' ' LEU . 24.9 p -73.97 -41.48 61.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.68 36.65 61.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -112.69 178.81 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.402 ' HB2' ' ND2' ' A' ' 26' ' ' ASN . 65.7 m -53.79 134.67 42.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 17' ' ' ARG . 14.2 m-85 -46.63 -48.18 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -64.28 -41.21 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 23' ' ' SER . 2.4 m-80 -56.83 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.1 m -39.29 -58.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -42.27 -54.51 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -46.91 -41.31 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -70.03 -51.13 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.33 -45.92 69.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.83 -69.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.9 m -42.38 -35.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.5 m -83.08 -68.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 143.66 64.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 36.24 51.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -131.9 98.29 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -39.79 -48.94 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -63.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -56.43 -20.35 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.04 -35.12 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 50.7 tt0 -67.43 -35.74 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.06 -37.71 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 78.8 t90 -60.91 -69.13 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.5 mt -42.83 -56.3 3.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 17.3 m-70 -51.68 -40.15 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -68.59 -60.05 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -51.63 -37.27 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.93 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.54 -45.53 37.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -47.6 63.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.74 -63.71 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 1.4 tmtp? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.82 -59.44 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.92 -41.94 62.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.78 -43.23 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.3 mtp -70.9 -36.16 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.71 -40.08 88.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.85 -29.34 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 36.3 ttp85 -54.98 -49.04 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -79.48 -42.99 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' CE ' HD13 ' A' ' 38' ' ' LEU . 4.4 mtmp? -53.48 -38.43 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 p -103.53 -47.63 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.05 -36.21 4.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -48.19 157.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.6 m -65.76 179.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.484 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 69.8 m-85 -62.23 -50.55 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -45.03 -50.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -50.45 -58.49 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -42.45 -38.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.5 tptt -71.63 -71.45 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.23 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 38.0 mm-40 -74.89 -51.89 12.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.515 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -60.05 -40.79 90.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 33' ' ' THR . 62.5 m -77.71 -55.09 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.72 54.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.09 27.32 62.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 5.9 m-20 -100.66 76.63 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' CE ' ' A' ' 19' ' ' LYS . 5.1 mt -34.22 -46.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.14 -61.38 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.8 mm-40 -61.39 -50.46 72.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.25 -47.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.3 tt0 -62.42 -62.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 29.8 mt -48.6 -36.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.515 ' CE2' HG23 ' A' ' 33' ' ' THR . 72.7 t90 -59.77 -69.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -43.62 -53.24 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 43.9 m-70 -56.37 -48.63 76.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 43' ' ' ILE . 70.6 mttt -55.65 -46.43 77.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -63.23 -44.17 96.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.28 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -78.24 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.79 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LEU . 6.7 tttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.746 0.308 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -37.94 -51.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.95 -34.75 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 24' ' ' PHE . 18.3 tp -69.66 -34.33 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.457 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 31.0 mmm -63.48 -37.62 88.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.75 -57.75 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.76 -13.84 27.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 22' ' ' TYR . 2.8 tpm_? -61.02 -55.88 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 3.8 ptm85 -82.64 6.27 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -88.71 -46.11 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.401 HG23 ' CD1' ' A' ' 45' ' ' LEU . 28.3 p -93.04 -57.64 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.36 6.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.465 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . 44.4 m-85 -100.85 -175.37 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.7 t -63.62 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -41.17 -29.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -82.47 -36.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' SER . 3.0 m120 -50.82 -52.69 38.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.47 -55.31 32.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' HD12 ' A' ' 13' ' ' LEU . 15.9 tttm -44.2 -42.5 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -66.92 -51.45 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.02 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLY . 21.4 mt -60.8 -44.37 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.23 -58.34 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.467 HG22 ' NE1' ' A' ' 44' ' ' TRP . 59.4 m -49.42 -40.12 35.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.6 m -84.56 -28.41 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 95.8 69.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 46.72 32.41 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 18.0 t0 -100.73 122.64 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.69 -47.63 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -64.59 -59.12 4.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -57.75 -44.1 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -38.63 -53.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 3.9 tt0 -58.35 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.02 -41.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.467 ' NE1' HG22 ' A' ' 33' ' ' THR . 59.8 t90 -63.93 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' HG23 ' A' ' 20' ' ' THR . 49.8 mt -47.32 -59.52 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 15.2 m-70 -52.15 -44.32 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -59.93 -42.44 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.67 -36.59 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.05 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.68 -45.03 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -74.11 -61.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.41 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.702 0.287 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -44.04 -50.68 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.2 mm? -60.25 -46.57 89.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 tp -50.01 -46.42 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.8 mmt -51.86 -35.68 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -74.44 -54.33 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.04 -39.18 68.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -41.87 -56.54 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -77.13 -38.22 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -47.18 -41.37 17.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -113.02 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 29.95 7.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' SER . 27.0 m-85 -97.42 159.13 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' TYR . 64.1 m -35.61 149.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -60.22 -30.62 69.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.2 -31.29 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -61.3 -50.43 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 97.5 m -57.27 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -40.26 -33.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLU . 15.3 tptm -75.23 -71.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -37.01 -40.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 ' CD2' HD22 ' A' ' 38' ' ' LEU . 15.9 mt -63.55 -41.88 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' LYS . 50.2 mm-40 -72.13 -57.84 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m -52.19 -37.9 56.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -80.41 -51.53 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.61 64.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.33 30.53 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.8 m-20 -104.94 78.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.5 mt -34.09 -46.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -53.09 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 6.7 mt-30 -60.68 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.73 -39.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.511 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.5 tt0 -71.71 -48.18 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . 57.6 mt -56.12 -39.84 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -60.24 -61.65 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -46.86 -50.4 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 41.9 m-70 -61.72 -45.17 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.98 -42.8 90.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.66 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.98 -43.8 97.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -72.74 -61.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.06 -63.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' CD ' ' HE1' ' A' ' 14' ' ' MET . 13.3 ttpt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.719 0.295 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' LEU . 1.9 mp0 -54.19 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.1 mm? -37.66 -39.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.17 -49.1 75.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.412 ' HE1' ' CD ' ' A' ' 10' ' ' LYS . 20.8 mtt -60.1 -40.6 90.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -70.1 -42.44 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 2.1 tt -61.77 -41.01 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.5 ttt180 -46.24 -51.33 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -72.06 -17.63 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -42.33 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.433 HG23 ' CG ' ' A' ' 42' ' ' GLU . 54.2 p -109.57 -45.75 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 113.03 -34.96 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.435 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -47.46 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -66.6 179.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' VAL . 76.7 m-85 -68.17 -67.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' PHE . 86.1 t -34.34 -36.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' PHE . 3.9 m-20 -61.93 -67.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 4.3 m -49.06 -46.37 44.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -49.56 -33.45 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.5 tppt? -76.49 -70.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -38.19 -38.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 15.6 mt -57.87 -53.42 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -57.69 11.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 m -53.41 -42.17 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.47 -69.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.2 47.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.21 24.86 63.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.5 m-20 -103.7 81.82 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.5 mt -34.2 -46.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -55.78 -55.99 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' ALA . 12.3 mm100 -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -33.75 -46.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.433 ' CG ' HG23 ' A' ' 20' ' ' THR . 8.5 tt0 -61.38 -49.04 78.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.0 mt -52.0 -49.29 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -53.96 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.5 mt -40.2 -60.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 88.2 m-70 -48.75 -52.32 24.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -55.27 -58.48 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 17.3 mm-40 -52.27 -41.53 62.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.03 81.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -55.49 -40.08 71.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -83.12 -74.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -37.72 -62.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' NZ ' ' HE2' ' A' ' 14' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -44.67 -52.22 8.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 12' ' ' LEU . 10.4 mp -58.49 -40.65 83.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.78 -36.54 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 10' ' ' LYS . 25.4 mtt -69.85 -36.6 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -78.19 -34.26 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 1.9 tm? -71.46 -36.57 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.37 -53.48 56.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -24.02 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -72.43 -65.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.431 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 44.7 p -75.53 -34.22 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.23 -34.12 5.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.488 ' CD1' HD12 ' A' ' 45' ' ' LEU . 60.8 m-85 -45.76 161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.925 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t -64.74 176.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -66.73 -51.24 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.06 -41.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -62.2 -65.03 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 55.8 m -44.6 -58.87 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' CYS . 9.8 ttmm -34.48 -47.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -62.54 -49.88 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' CYS . . . -60.74 -53.65 54.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.5 -44.57 89.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.46 -57.8 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.4 m -56.19 -39.69 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.28 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 33.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.15 -15.4 11.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -62.85 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -39.69 -43.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -55.92 -53.31 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ALA . 16.1 mm-40 -67.25 -52.02 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -35.07 -44.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 5.4 tt0 -59.87 -54.74 42.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.4 mt -49.28 -52.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -42.25 -61.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 22' ' ' TYR . 18.0 mt -48.4 -43.3 33.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -40.13 94.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -64.46 -47.07 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -43.34 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.68 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.03 -41.6 59.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -75.99 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.79 -63.12 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -149.58 160.9 43.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -154.42 165.55 36.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.52 -103.66 2.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -65.53 96.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -59.09 116.32 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.24 58.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -164.17 143.8 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.8 p -118.03 90.83 3.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.22 -50.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -50.44 -40.03 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.32 -31.78 58.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.31 -41.82 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.1 mtp -65.43 -38.04 88.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -70.59 -48.62 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.1 tp -64.69 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 tmm_? -67.99 -46.53 71.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -80.63 -32.97 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -66.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.5 p -78.53 -51.56 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.19 -13.74 21.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -68.37 152.27 45.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -50.1 161.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.556 ' CZ ' ' HG3' ' A' ' 17' ' ' ARG . 45.8 m-85 -59.13 -51.59 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -49.2 -38.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -65.42 -67.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.6 m -41.79 -43.89 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.05 -46.48 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -59.21 -53.89 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -58.53 -33.44 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.4 mt -70.48 -35.79 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.27 -42.14 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -64.97 -33.08 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 19.5 p -91.24 -46.51 8.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 109.39 56.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.4 56.8 22.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 4.1 m-20 -132.06 87.97 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 4.9 mt -34.41 -46.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -63.06 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.62 -7.84 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -96.98 -36.94 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.72 -37.23 70.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 mt -69.41 -38.91 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' CH2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -56.25 -72.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 44' ' ' TRP . 32.9 mt -35.92 -57.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -52.07 -48.57 64.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -58.69 -55.55 33.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 17.4 mm-40 -50.11 -43.54 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -58.09 -48.22 80.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -52.65 -43.35 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -75.08 -64.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -53.47 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.58 46.21 1.15 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 48' ' ' GLU . 14.9 m0 -63.62 -55.84 20.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.0 t -108.76 146.88 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ALA . 7.9 tmtm? -56.75 -59.3 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . . . -36.33 147.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.57 123.42 27.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 m -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.2 82.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 115.98 4.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.398 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -118.74 157.54 27.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.1 m -94.55 158.01 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -129.58 132.06 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 t -48.53 103.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.15 143.67 16.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -101.13 -52.38 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -92.45 109.38 20.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.11 -176.16 19.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 p -79.91 143.06 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -100.87 96.72 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' LEU . 21.9 ttpt -119.15 -60.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.6 pt-20 -37.39 -48.75 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 22.5 mt -65.93 -38.41 88.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD22 ' CE2' ' A' ' 24' ' ' PHE . 22.9 tp -61.43 -37.49 83.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 80.2 mtp -79.99 -32.2 39.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -67.35 -40.76 85.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 27' ' ' CYS . 54.1 tp -67.34 -44.03 80.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.3 ttt180 -37.83 -58.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -54.49 -51.13 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 p -107.22 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 118.44 -25.3 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -44.1 159.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -47.83 176.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.544 ' CE2' HD22 ' A' ' 13' ' ' LEU . 2.1 t80 -80.81 -45.59 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.7 -42.97 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.83 -58.73 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.425 ' CB ' HD22 ' A' ' 16' ' ' LEU . 69.0 m -40.38 -49.35 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -54.57 -42.18 70.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -65.64 -39.63 91.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.24 78.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.3 mt -61.09 -60.34 3.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -48.37 -54.16 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.0 m -61.34 -34.33 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 91.2 m -99.34 43.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 34.55 62.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.6 65.01 0.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 8.7 t0 -126.05 125.51 42.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 38' ' ' LEU . 2.4 mm? -70.82 -40.59 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -63.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.38 -10.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -72.61 -49.71 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.59 -51.45 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.4 mt -49.61 -51.6 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.484 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 59.9 t90 -51.61 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' TRP . 27.3 mt -36.49 -48.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -59.69 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -55.75 -44.81 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -68.12 -38.48 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . . . -62.22 -34.48 76.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.88 -40.39 20.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.6 -43.36 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.19 -61.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.75 74.24 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.43 ' CE3' ' HA ' ' A' ' 49' ' ' ALA . 22.0 m0 -97.89 178.17 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 t -79.92 -53.49 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -81.31 136.14 35.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -168.78 160.1 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.31 -57.91 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.0 p -75.24 134.18 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.67 -90.73 0.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -40.27 5.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -105.88 152.46 23.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.2 p -127.1 111.32 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.3 t -37.0 119.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -119.48 141.28 49.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.29 97.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -73.44 119.28 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -76.17 159.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.2 -44.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 p -147.27 116.77 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -100.71 39.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 14.1 tptm -75.14 -68.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -44.91 -48.08 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.68 -37.33 86.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.61 -39.18 84.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.458 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 32.7 mmm -67.03 -37.26 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -76.78 -45.85 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.8 tp -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.563 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 3.9 tpt180 -59.84 -44.48 94.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.49 -22.64 35.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -70.54 -40.39 73.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.7 p -105.74 -46.8 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.66 -28.67 8.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -51.44 151.01 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -54.25 145.2 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.563 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 52.6 m-85 -43.2 -48.87 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.22 -52.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -54.15 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.0 m -47.83 -46.04 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -33.47 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 26.5 tptt -76.63 -71.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -44.92 -33.69 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' GLY . 11.5 mt -60.65 -44.17 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -78.79 -51.39 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -49.84 -31.66 12.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -101.38 -40.29 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 109.79 78.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 34.4 39.38 0.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 14.2 t0 -111.7 93.43 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mp -45.24 -59.94 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -52.81 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 11.7 mm-40 -62.25 -8.25 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -93.9 -33.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 13.2 tt0 -70.39 -36.77 74.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.3 mt -66.49 -41.41 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 89.2 t90 -57.48 -59.42 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -43.76 -45.25 7.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-70 -63.48 -43.93 95.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -59.32 -42.41 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 mm-40 -70.02 -38.65 75.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' HB3' ' CE3' ' A' ' 54' ' ' TRP . . . -63.93 -38.33 90.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -76.65 -43.79 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.72 -45.67 81.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.58 -59.11 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.32 81.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.43 ' CE3' ' HB3' ' A' ' 49' ' ' ALA . 29.9 m0 -92.57 163.87 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.335 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -123.96 105.13 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -125.55 -58.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.08 163.49 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.15 -49.61 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 p -108.67 173.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.11 153.48 19.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -47.29 114.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -103.48 -40.22 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 45.03 42.11 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -87.37 162.18 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.42 159.05 29.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -80.59 123.35 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -68.88 128.47 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.78 -109.36 1.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 t -71.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -82.48 41.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -38.03 -56.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -43.75 -45.53 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.09 -40.14 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tp -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.61 -36.91 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 19.4 mttt -70.18 -42.44 72.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD11 ' CB ' ' A' ' 41' ' ' ALA . 0.4 OUTLIER -68.09 -41.77 81.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.533 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 2.3 tmt_? -54.35 -56.97 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -64.59 -34.43 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -58.17 -53.56 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.418 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 51.7 p -87.24 -57.41 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.2 -21.48 8.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.05 165.85 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -44.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 84.3 m-85 -73.44 -64.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . 90.0 t -34.13 -54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -61.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 4.9 m -47.47 -45.86 26.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.42 -53.39 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -56.53 -46.05 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -42.55 78.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 mt -56.59 -45.87 81.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.28 -65.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.3 m -40.92 -41.13 1.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.0 -72.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.67 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.8 28.77 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' CB ' ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -107.03 96.25 6.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 15' ' ' LYS . 3.2 mm? -42.31 -37.18 1.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -72.52 -64.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 37' ' ' ASP . 11.3 mm-40 -53.26 -15.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -87.94 -44.98 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 13.8 tt0 -58.47 -37.42 75.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.79 -50.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -51.87 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.4 mt -40.31 -52.55 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -56.37 -52.62 63.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -51.95 -54.17 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.553 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -56.29 -41.6 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.31 74.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -57.07 -39.33 74.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -74.94 -70.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -53.92 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.18 60.03 0.44 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CZ2' ' HB3' ' A' ' 48' ' ' GLU . 14.4 m0 -80.96 -61.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 t -42.22 161.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm 61.81 42.71 10.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.92 81.46 6.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.25 46.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -87.7 176.26 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.08 -159.78 26.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 137.64 35.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t 68.33 38.89 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -65.4 124.48 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -79.36 118.72 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -94.15 82.36 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.87 151.82 5.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -80.5 166.01 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.2 p -63.0 116.06 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.57 -177.23 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 p -78.12 159.48 28.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 p -87.67 84.64 7.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.6 ptmt -119.52 -30.55 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.1 tt0 -47.93 -46.83 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.56 -40.71 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD21 ' CD1' ' A' ' 24' ' ' PHE . 4.0 tp -59.69 -32.3 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.1 mmt -73.77 -35.62 64.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -75.26 -59.67 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -44.38 -38.99 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -54.7 -50.52 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.69 1.82 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -104.45 -42.03 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -106.23 -52.51 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.62 -31.7 5.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -40.35 153.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -59.95 169.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' HD21 ' A' ' 13' ' ' LEU . 9.2 m-85 -62.7 -49.97 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.4 m -46.7 -42.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -67.73 -70.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 99.2 m -43.01 -38.27 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -61.37 -37.33 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 3.1 tppp? -73.59 -71.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.467 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.56 -39.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 36' ' ' GLY . 17.5 mt -57.38 -58.04 10.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.87 -64.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 m -45.28 -40.7 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.8 -23.71 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 98.13 62.66 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 41.56 48.6 4.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 2.8 t70 -117.94 129.87 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mp -76.37 -36.27 58.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -76.47 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -57.31 -12.43 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -80.14 -51.43 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.512 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 6.8 tt0 -49.87 -47.15 52.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.83 -46.99 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.556 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 85.4 t90 -53.56 -58.77 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.1 mt -48.33 -50.56 29.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.512 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 34.5 m-70 -58.9 -39.66 82.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -65.44 -46.93 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -65.83 -37.97 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.461 ' CB ' ' CE3' ' A' ' 54' ' ' TRP . . . -63.56 -36.2 83.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -79.86 -44.71 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -63.99 -44.99 91.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.88 -53.91 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.63 86.14 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.461 ' CE3' ' CB ' ' A' ' 49' ' ' ALA . 19.6 m0 -93.84 167.34 11.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -70.19 91.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -107.59 140.41 40.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.59 99.2 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 43.23 37.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -51.89 128.95 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.12 146.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -38.11 8.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.602 2.201 . . . . 0.0 112.384 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 t -70.21 147.7 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 p -74.24 127.52 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 42' ' ' GLU . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -51.33 98.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -93.85 87.06 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.23 -151.15 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 p -103.57 128.08 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -73.09 -51.07 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.96 -106.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -142.92 140.65 31.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -56.03 -44.08 78.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.3 ptmm? -43.49 -27.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.2 tp10 -50.73 -42.79 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.83 -36.75 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.29 -43.48 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.6 mmm -60.43 -37.44 80.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.79 -48.88 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.5 tp -59.78 -17.92 39.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 14.7 ttp85 -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 4.0 ptm85 -85.8 6.49 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -104.67 -46.26 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 22' ' ' TYR . 56.9 p -99.35 -37.92 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.2 30.14 55.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 8.4 m-85 -103.92 164.49 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -50.47 141.12 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 13.8 m-85 -42.77 -62.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -47.6 -46.82 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.44 -64.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 60.1 m -45.26 -46.46 12.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -57.15 -45.72 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -61.0 -36.7 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.14 87.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.98 -35.26 80.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.86 -55.16 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.507 HG21 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -56.07 -41.91 75.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 33' ' ' THR . 90.9 m -74.88 -55.0 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.21 49.78 0.4 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.64 93.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.4 m-20 -122.4 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.1 mm? -34.23 -38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -61.76 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' ALA . 26.4 mm-40 -59.1 -47.14 86.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.94 -42.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.521 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 5.8 tt0 -68.26 -51.05 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 40' ' ' GLN . 37.2 mt -53.3 -33.85 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.554 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 75.1 t90 -67.43 -70.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TRP . 59.0 mt -37.37 -55.62 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.521 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 m-70 -53.9 -43.73 69.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -61.01 -57.22 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -54.43 -43.52 71.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.19 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.07 -39.74 60.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -79.77 -64.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -60.49 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.34 58.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.531 ' CH2' ' HB3' ' A' ' 48' ' ' GLU . 13.0 m0 -83.1 44.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.2 t -154.48 134.91 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -123.49 88.31 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.67 112.18 15.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.29 92.59 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.2 p -165.05 171.89 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.63 71.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -46.67 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.624 2.216 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 p -165.68 141.68 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -73.48 108.46 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -59.4 -50.5 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m 41.9 42.25 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -143.43 4.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 64.94 42.18 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -98.88 115.53 29.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.82 -83.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -82.04 142.61 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -82.35 92.0 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -78.87 -53.16 7.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -39.94 -60.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -50.64 -42.74 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.24 -41.28 97.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mmm -62.26 -39.73 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -70.16 -44.55 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.0 tp -68.35 -30.91 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.0 tpt180 -63.13 -35.78 81.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.22 -37.54 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -59.95 -41.61 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 p -99.76 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.23 -30.7 8.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -50.71 142.16 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -44.91 156.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.49 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 38.8 m-85 -51.41 -60.51 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' PHE . 83.2 t -35.56 -53.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -57.12 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.9 -61.17 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -40.72 -49.62 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -58.43 -42.34 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -52.36 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' HD21 ' A' ' 38' ' ' LEU . 21.1 mt -55.05 -38.55 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.48 -60.83 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.1 m -51.01 -35.79 36.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.2 m -81.6 -48.19 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.2 65.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.28 43.41 5.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.4 m-20 -117.87 76.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 31' ' ' LEU . 5.5 mt -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -53.4 -61.52 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' ALA . 1.3 mm-40 -60.58 -49.09 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.69 -45.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mt -50.05 -37.19 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -68.41 -55.5 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.98 -56.57 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -56.91 -40.65 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -60.49 -40.68 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.29 -34.65 65.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.15 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.12 -43.79 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -62.4 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -86.33 -48.95 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.08 69.71 0.97 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.7 m0 -76.26 127.4 32.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -38.68 -55.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -61.97 102.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.17 145.21 48.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.3 91.18 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.5 p -72.53 -46.43 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.18 -160.2 11.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 177.45 5.6 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 63' ' ' SER . 85.3 p -104.01 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' SER . 22.9 t 36.05 48.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -107.43 141.41 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -41.69 113.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.97 -101.0 2.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -125.88 134.24 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -103.65 153.01 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.45 -78.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -80.95 92.97 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -102.61 89.29 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' LEU . 18.4 tttp -99.4 -55.43 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' LYS . 3.5 tp10 -36.01 -49.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.83 -39.54 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' LYS . 11.4 tp -60.36 -41.29 93.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.446 ' HE1' ' CE ' ' A' ' 10' ' ' LYS . 41.0 mtm -71.29 -40.78 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.01 -40.11 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.45 -35.41 77.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLY . 27.5 ttp85 -59.93 -43.95 94.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -76.57 -30.43 57.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.86 -43.64 83.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 -53.85 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 124.45 -29.29 5.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -45.65 171.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.382 . . . . 0.0 110.938 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 27' ' ' CYS . 2.5 t -78.81 177.61 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -68.56 -53.87 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -43.96 -52.53 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.53 -59.05 5.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 23' ' ' SER . 77.1 m -44.65 -57.53 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -44.71 -40.38 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -67.1 -50.25 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.08 -54.34 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 mt -54.19 -35.34 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.27 -57.94 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.9 m -57.5 -33.59 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.4 m -80.02 -57.71 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 58.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.44 40.24 61.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.433 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.91 109.77 15.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 38' ' ' LEU . 4.1 mm? -60.37 -41.21 93.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -59.56 -61.64 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ALA . 5.8 mm-40 -60.06 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.53 -49.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.1 tt0 -61.84 -61.81 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.1 mt -42.5 -39.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.14 -65.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -47.96 -52.95 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 12.5 m-70 -58.23 -44.68 88.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.08 -43.11 91.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.22 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -43.33 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -76.14 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -52.48 -62.34 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.35 48.79 0.9 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -68.27 88.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -157.31 162.95 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -101.29 -59.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.82 -54.66 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -47.4 115.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 p -71.71 -47.35 54.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.34 83.31 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.631 2.22 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -135.46 143.26 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -104.49 -64.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -149.38 123.77 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -90.39 166.45 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.14 66.3 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -69.82 89.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -64.74 158.28 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.16 -111.75 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 t -44.27 122.54 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -121.92 91.52 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -108.86 -42.32 4.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -44.34 -55.08 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.444 HD13 ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -57.18 -41.14 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.13 -42.64 95.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.99 -23.97 59.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.69 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 38' ' ' LEU . 21.2 tp -54.35 -23.33 15.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 3.3 ttt180 -63.36 -49.95 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -77.75 7.35 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.79 -50.04 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 p -104.79 -36.1 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -28.9 13.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' A' ' 45' ' ' LEU . 44.2 m-85 -42.23 148.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m -61.09 151.41 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.428 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 68.7 m-85 -38.59 -61.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' PHE . 80.8 t -36.92 -54.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -54.15 -66.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 91.2 m -42.54 -44.48 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -53.01 -37.43 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.7 tptt -73.04 -71.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.429 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -40.77 -41.63 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.6 mt -63.31 -36.59 84.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.0 mm-40 -73.78 -48.86 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.5 m -65.55 -33.83 76.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 m -81.62 -51.87 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.0 57.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.71 41.62 50.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' LEU . 47.9 m-20 -118.86 76.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' CD1' HD13 ' A' ' 12' ' ' LEU . 3.0 mp -34.4 -47.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -53.27 -59.87 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' NE2' HD11 ' A' ' 43' ' ' ILE . 18.1 mm-40 -60.46 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.88 -49.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -52.62 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 HD11 ' NE2' ' A' ' 40' ' ' GLN . 27.4 mt -54.02 -40.46 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.01 -56.29 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD11 ' CD2' ' A' ' 22' ' ' TYR . 28.2 mt -48.84 -58.58 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -53.59 -51.94 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -50.82 -39.96 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 26.1 mm-40 -72.49 -39.33 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.47 79.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.96 -41.0 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -63.14 -53.72 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.14 -53.24 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.68 82.37 1.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CZ2' ' HB3' ' A' ' 48' ' ' GLU . 30.5 m0 -91.55 167.97 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.8 m -87.08 77.43 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -144.38 157.0 44.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.02 153.65 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.93 113.4 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -113.56 79.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.63 80.86 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -45.63 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 t -164.43 134.63 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -54.45 114.34 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -173.62 156.99 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 m -54.02 107.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.71 102.18 1.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -53.23 171.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -89.15 -42.2 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 100.08 -175.78 27.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.3 m -37.92 137.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -99.23 92.7 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -69.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 12' ' ' LEU . 3.8 pt-20 -48.49 -54.03 15.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.467 ' CD1' HD21 ' A' ' 38' ' ' LEU . 3.4 mm? -57.6 -45.07 85.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.57 -32.96 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.4 mtp -83.64 -19.76 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -78.15 -40.66 37.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 tp -73.44 -35.72 65.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -58.79 -44.22 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -78.66 6.48 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -109.31 -41.0 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.5 p -109.67 -46.7 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' TYR . . . 109.51 -33.74 5.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 45.9 m-85 -37.5 146.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -41.66 146.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -51.41 -47.19 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.74 -47.19 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -59.8 -44.62 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 m -58.25 -51.08 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -48.24 -46.36 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -58.99 -40.33 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.38 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' GLY . 19.2 mt -63.04 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.62 -44.84 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.466 HG22 ' NE1' ' A' ' 44' ' ' TRP . 90.5 m -69.92 -26.63 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -95.7 -22.52 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 87.65 68.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.35 34.8 9.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 18.7 t0 -102.24 121.03 41.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.9 mm? -74.57 -43.19 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -68.58 -55.91 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.414 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 1.5 mm-40 -62.88 -32.82 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -48.61 -54.63 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.4 tt0 -62.16 -55.1 32.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -46.15 -37.14 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' NE1' HG22 ' A' ' 33' ' ' THR . 84.6 t90 -67.17 -60.14 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -43.27 -57.37 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.479 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 42.2 m-70 -55.06 -51.38 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -50.9 -43.77 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.552 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 20.3 mm-40 -73.6 -32.02 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.52 -22.43 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -99.74 -33.66 10.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -72.2 -52.44 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.27 -57.08 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.98 81.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.552 ' CZ2' ' HB3' ' A' ' 48' ' ' GLU . 39.1 m0 -94.12 -53.74 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -93.06 -47.97 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -153.39 131.93 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 -47.72 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.54 131.25 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.8 p -166.77 160.72 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.45 70.48 0.33 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.07 9.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.4 m -62.97 138.02 58.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.4 p -55.83 -46.97 77.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -89.78 95.51 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -57.87 128.23 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.28 -144.15 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -148.62 117.56 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -125.23 79.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.78 -175.18 43.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p -51.1 107.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -81.36 48.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -52.56 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -44.64 -58.76 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 12' ' ' LEU . 3.7 mm? -54.71 -42.7 71.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tp -60.24 -46.04 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.3 mmm -56.67 -42.45 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -69.13 -41.58 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.9 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 ttp85 -40.69 -49.59 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -80.24 -37.5 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -50.56 -39.77 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 p -110.29 -46.23 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.85 32.62 12.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -105.86 178.97 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -58.45 142.41 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.556 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 10.9 m-85 -48.22 -57.46 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.49 -44.42 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.5 -54.3 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 23.2 m -50.42 -44.8 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -58.26 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -49.02 -46.9 44.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.25 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.14 -27.14 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -83.16 -50.45 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -60.6 -40.85 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' THR . 45.5 m -74.66 -61.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 48.96 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.57 40.45 96.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.1 m-20 -119.83 83.87 2.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.9 mp -35.15 -41.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.91 -60.65 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' ALA . 10.8 mm100 -60.83 -49.23 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.56 -50.06 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -57.1 -57.6 11.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mt -45.68 -47.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.551 ' CD1' HG21 ' A' ' 33' ' ' THR . 70.6 t90 -54.17 -66.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -43.77 -41.84 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -67.11 -40.68 86.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -61.38 -50.59 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 21.6 mm-40 -62.3 -40.14 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -62.17 -32.19 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.03 -37.66 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' CE ' ' OE2' ' A' ' 48' ' ' GLU . 17.9 mtmm -85.72 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -47.4 -63.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.03 50.95 0.75 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.455 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 25.3 m0 -65.79 -61.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -99.81 148.28 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -84.21 -44.18 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.72 108.05 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -87.11 171.79 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 146.4 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.77 111.36 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' PRO . 67.0 m -37.61 140.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -156.06 147.05 22.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -86.13 130.39 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 p -103.82 83.12 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.66 -60.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 133.13 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.22 -57.01 3.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.82 -130.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -56.58 150.06 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -84.5 78.6 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -78.08 -42.39 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -45.99 -65.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 12' ' ' LEU . 3.5 mm? -46.04 -40.8 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.9 tp -67.09 -38.52 85.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.3 mmm -69.42 -34.59 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -73.39 -40.27 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 tp -70.24 -46.57 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.491 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -40.31 -48.15 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.32 -32.13 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -57.96 -40.01 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -111.34 -46.47 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.66 -34.2 4.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -41.0 139.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -42.94 150.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 27.3 m-85 -49.58 -53.85 21.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -49.77 -44.78 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.8 -57.48 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.04 -51.54 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -47.35 -45.29 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -60.79 -44.63 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HA ' ' CE3' ' A' ' 44' ' ' TRP . . . -63.19 -45.24 92.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 35' ' ' GLY . 21.3 mt -59.74 -37.63 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.59 -48.14 50.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -65.04 -24.65 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 69.9 m -101.96 -19.15 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 81.43 74.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.55 33.96 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 7.4 t0 -101.59 108.92 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.75 -52.58 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -58.78 -62.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 5.3 mm-40 -56.52 -39.75 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -41.47 -52.89 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 9.2 tt0 -62.99 -54.88 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.1 mt -44.94 -40.29 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 30' ' ' ALA . 46.4 t90 -63.99 -61.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.7 mt -44.43 -60.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 23.4 m-70 -49.22 -46.55 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -56.99 -49.58 75.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.35 81.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.49 -42.95 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -76.7 -63.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.97 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.45 45.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.5 m0 -59.08 -60.81 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -59.09 -53.94 52.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -142.03 149.95 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.37 154.59 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.88 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -90.05 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.21 146.32 16.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.542 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -177.48 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.6 t -86.54 155.42 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m -161.37 147.14 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -119.63 82.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -38.75 -39.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.1 -51.01 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -69.91 -45.86 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -118.55 122.15 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.7 -68.29 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -167.02 144.42 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -116.21 93.94 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -101.09 -61.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LYS . 10.2 tp10 -37.55 -58.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.64 -40.9 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD22 ' CE2' ' A' ' 24' ' ' PHE . 26.2 tp -60.4 -40.45 90.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.11 -37.55 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -66.48 -45.75 78.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 41' ' ' ALA . 25.4 tp -62.88 -36.24 82.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.1 tpt85 -55.44 -48.58 74.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.8 ptt180 -76.8 -38.93 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -57.29 -43.89 83.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 p -101.43 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 110.33 -31.76 7.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -43.71 166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -46.55 173.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.553 ' CE2' HD22 ' A' ' 13' ' ' LEU . 2.0 t80 -79.36 -53.36 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -56.19 -44.05 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -55.1 -62.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 90.5 m -40.4 -52.27 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -46.61 -55.29 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.5 -39.39 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.56 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.54 -47.2 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.18 -66.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 m -48.65 -42.64 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.93 -37.78 76.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.54 58.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.0 52.25 27.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 103.44 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 38' ' ' LEU . 3.5 mm? -56.87 -37.74 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -61.6 -57.6 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' ALA . 15.4 mm-40 -62.13 -50.76 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 16' ' ' LEU . . . -33.61 -48.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 7.9 tt0 -62.95 -53.72 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mt -53.66 -40.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -63.68 -61.1 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.24 -58.4 3.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.7 m-70 -50.55 -49.0 57.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -54.65 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.89 -33.65 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.1 -27.45 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.21 -33.37 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -35.99 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' TRP . 4.0 mm-40 -110.26 105.85 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.1 81.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' ' 52' ' ' GLU . 23.6 m0 -68.64 121.42 16.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -167.29 145.37 4.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -131.86 174.21 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.97 147.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -98.04 -57.13 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.36 -95.04 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 121.65 8.33 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.5 m -148.07 118.91 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -84.67 135.47 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -67.12 157.35 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -111.56 153.74 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 133.48 5.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -150.09 148.9 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -64.85 177.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.88 154.14 21.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -114.69 151.03 34.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -118.67 103.52 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 -27.97 14.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -73.75 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 mp -52.83 -31.91 41.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 24' ' ' PHE . 5.6 tp -66.12 -24.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mmt -78.73 -26.7 44.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 20.7 mtpp -85.62 -47.73 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.465 HD22 ' CB ' ' A' ' 27' ' ' CYS . 22.3 tp -52.41 -27.6 16.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -68.31 -43.03 78.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 12.2 ptp180 -77.09 -27.7 54.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -74.25 -47.34 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.6 p -94.14 -56.3 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.88 -19.62 25.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' SER . 65.6 m-85 -56.8 152.47 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' TYR . 36.4 m -37.62 156.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -62.33 -47.03 86.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.79 -43.75 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -53.26 -56.81 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.465 ' CB ' HD22 ' A' ' 16' ' ' LEU . 84.5 m -49.18 -44.88 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -53.79 -58.77 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -50.74 -37.93 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.84 -32.88 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.31 -51.96 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -58.84 -41.49 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 33' ' ' THR . 19.4 m -73.97 -63.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.89 58.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.45 45.76 29.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 12.1 m-20 -126.68 83.65 2.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.6 mt -33.89 -46.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -56.46 -56.99 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 43' ' ' ILE . 17.4 mm100 -62.47 -51.15 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.41 -48.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 10.1 tt0 -60.28 -48.13 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' GLN . 81.8 mt -52.75 -44.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CD1' HG23 ' A' ' 33' ' ' THR . 83.5 t90 -61.97 -57.75 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.99 -55.69 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.531 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.0 m-70 -53.94 -48.15 70.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -55.0 -45.22 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.73 -44.3 93.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.568 ' HB1' ' CE3' ' A' ' 54' ' ' TRP . . . -55.27 -43.44 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -53.6 -42.04 67.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -78.55 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 54.3 mm-40 -59.0 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.72 91.33 2.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.568 ' CE3' ' HB1' ' A' ' 49' ' ' ALA . 3.0 m0 -115.97 98.39 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -103.52 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -131.73 146.81 52.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.74 115.99 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.66 167.42 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -145.56 176.77 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.66 147.81 18.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.69 60.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.374 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.7 p -96.8 158.92 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -133.71 167.16 21.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -153.06 176.48 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -93.62 159.36 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.08 -121.83 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -153.15 145.68 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -59.98 176.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.92 -102.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . 40.8 m -113.0 97.25 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' SER . 81.1 p -37.62 120.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG2' ' CE ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -121.37 -68.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.59 -44.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.6 -42.23 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.19 -45.17 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.415 ' CE ' ' HG2' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.62 -39.46 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -66.0 -46.25 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 20' ' ' THR . 7.8 tp -71.75 -33.79 68.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.547 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -44.09 -46.76 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 3.6 ptm85 -79.05 -48.7 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 16' ' ' LEU . 24.9 p -73.97 -41.48 61.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.68 36.65 61.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -112.69 178.81 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.402 ' HB2' ' ND2' ' A' ' 26' ' ' ASN . 65.7 m -53.79 134.67 42.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.547 ' CE2' ' HG3' ' A' ' 17' ' ' ARG . 14.2 m-85 -46.63 -48.18 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -64.28 -41.21 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' ND2' ' HB2' ' A' ' 23' ' ' SER . 2.4 m-80 -56.83 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 86.1 m -39.29 -58.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -42.27 -54.51 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -46.91 -41.31 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.422 ' HB3' ' CE3' ' A' ' 44' ' ' TRP . . . -70.03 -51.13 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.6 mt -53.33 -45.92 69.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.83 -69.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.9 m -42.38 -35.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.5 m -83.08 -68.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 143.66 64.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 36.24 51.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -131.9 98.29 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mp -39.79 -48.94 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -63.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -56.43 -20.35 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.04 -35.12 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 50.7 tt0 -67.43 -35.74 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.06 -37.71 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.497 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 78.8 t90 -60.91 -69.13 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.5 mt -42.83 -56.3 3.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 17.3 m-70 -51.68 -40.15 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -68.59 -60.05 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.497 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -51.63 -37.27 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.93 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.54 -45.53 37.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -47.6 63.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.74 -63.71 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.51 74.72 0.74 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -99.95 -60.06 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.5 p -71.15 121.69 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.74 38.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.33 169.8 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.93 86.37 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -143.31 148.83 36.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.16 148.92 18.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -6.07 17.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.3 p -126.67 156.9 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -149.36 153.67 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -99.38 147.85 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.815 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -155.0 113.46 3.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.13 99.99 2.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -146.98 154.4 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -108.0 158.35 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.42 -150.4 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -69.68 164.77 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -114.83 85.08 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 1.4 tmtp? -75.17 -56.04 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.82 -59.44 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.92 -41.94 62.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -59.78 -43.23 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.3 mtp -70.9 -36.16 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.71 -40.08 88.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.85 -29.34 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 36.3 ttp85 -54.98 -49.04 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -79.48 -42.99 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.451 ' CE ' HD13 ' A' ' 38' ' ' LEU . 4.4 mtmp? -53.48 -38.43 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 p -103.53 -47.63 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.05 -36.21 4.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -48.19 157.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.6 m -65.76 179.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.484 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 69.8 m-85 -62.23 -50.55 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -45.03 -50.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.4 m -50.45 -58.49 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -42.45 -38.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.5 tptt -71.63 -71.45 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.23 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 38.0 mm-40 -74.89 -51.89 12.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.515 HG23 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -60.05 -40.79 90.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 33' ' ' THR . 62.5 m -77.71 -55.09 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.72 54.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.09 27.32 62.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 5.9 m-20 -100.66 76.63 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' CE ' ' A' ' 19' ' ' LYS . 5.1 mt -34.22 -46.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.14 -61.38 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.8 mm-40 -61.39 -50.46 72.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.25 -47.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.3 tt0 -62.42 -62.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.464 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 29.8 mt -48.6 -36.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.515 ' CE2' HG23 ' A' ' 33' ' ' THR . 72.7 t90 -59.77 -69.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -43.62 -53.24 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 43.9 m-70 -56.37 -48.63 76.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 43' ' ' ILE . 70.6 mttt -55.65 -46.43 77.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' CB ' ' CH2' ' A' ' 54' ' ' TRP . 35.3 mm-40 -63.23 -44.17 96.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.28 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -78.24 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.79 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.9 52.55 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CH2' ' CB ' ' A' ' 48' ' ' GLU . 18.0 m0 -67.08 117.01 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -40.56 102.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.16 142.8 32.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.37 159.96 15.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.46 -56.09 9.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 54.17 38.95 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.04 147.1 6.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.29 36.43 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 148.95 41.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -164.36 129.0 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 p -82.55 45.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -51.12 133.59 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.61 -66.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -61.98 -46.89 87.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -140.34 108.78 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.82 141.82 3.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -86.51 102.69 14.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -87.67 40.98 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 13' ' ' LEU . 6.7 tttp -67.92 -53.82 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -37.94 -51.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.95 -34.75 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 24' ' ' PHE . 18.3 tp -69.66 -34.33 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.457 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 31.0 mmm -63.48 -37.62 88.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.75 -57.75 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.76 -13.84 27.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 22' ' ' TYR . 2.8 tpm_? -61.02 -55.88 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 3.8 ptm85 -82.64 6.27 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -88.71 -46.11 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.401 HG23 ' CD1' ' A' ' 45' ' ' LEU . 28.3 p -93.04 -57.64 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.36 6.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.465 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . 44.4 m-85 -100.85 -175.37 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.7 t -63.62 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CE2' HD22 ' A' ' 13' ' ' LEU . 12.7 t80 -41.17 -29.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -82.47 -36.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' SER . 3.0 m120 -50.82 -52.69 38.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.47 -55.31 32.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' HD12 ' A' ' 13' ' ' LEU . 15.9 tttm -44.2 -42.5 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -66.92 -51.45 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.13 -42.02 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' GLY . 21.4 mt -60.8 -44.37 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.23 -58.34 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.467 HG22 ' NE1' ' A' ' 44' ' ' TRP . 59.4 m -49.42 -40.12 35.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.6 m -84.56 -28.41 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 95.8 69.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 46.72 32.41 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 18.0 t0 -100.73 122.64 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.69 -47.63 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -64.59 -59.12 4.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -57.75 -44.1 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -38.63 -53.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.568 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 3.9 tt0 -58.35 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.02 -41.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.467 ' NE1' HG22 ' A' ' 33' ' ' THR . 59.8 t90 -63.93 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' CD1' HG23 ' A' ' 20' ' ' THR . 49.8 mt -47.32 -59.52 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.568 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 15.2 m-70 -52.15 -44.32 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -59.93 -42.44 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.67 -36.59 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.488 ' CB ' ' CE3' ' A' ' 54' ' ' TRP . . . -66.69 -42.05 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.68 -45.03 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -74.11 -61.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.41 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.03 88.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.488 ' CE3' ' CB ' ' A' ' 49' ' ' ALA . 20.8 m0 -94.74 104.01 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.78 0.324 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.6 p -60.3 134.4 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.75 143.53 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.53 161.24 37.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.45 43.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.6 p -102.68 42.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.84 -160.02 13.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.48 63.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.304 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -136.79 133.37 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -148.51 143.36 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -163.16 133.04 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.19 -40.3 0.6 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -102.16 166.0 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 43.47 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.0 -154.2 26.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.3 p -71.68 136.68 47.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.922 0.391 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -89.22 75.11 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -73.13 -70.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -44.04 -50.68 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.2 mm? -60.25 -46.57 89.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' ' 24' ' ' PHE . 5.0 tp -50.01 -46.42 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.466 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.8 mmt -51.86 -35.68 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -74.44 -54.33 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 tp -55.04 -39.18 68.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -41.87 -56.54 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -77.13 -38.22 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -47.18 -41.37 17.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -113.02 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 29.95 7.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' SER . 27.0 m-85 -97.42 159.13 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' TYR . 64.1 m -35.61 149.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -60.22 -30.62 69.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.2 -31.29 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -61.3 -50.43 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.467 ' HB2' ' CD1' ' A' ' 13' ' ' LEU . 97.5 m -57.27 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -40.26 -33.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLU . 15.3 tptm -75.23 -71.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -37.01 -40.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 ' CD2' HD22 ' A' ' 38' ' ' LEU . 15.9 mt -63.55 -41.88 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' LYS . 50.2 mm-40 -72.13 -57.84 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m -52.19 -37.9 56.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -80.41 -51.53 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.61 64.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.33 30.53 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.8 m-20 -104.94 78.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.5 mt -34.09 -46.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -53.09 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 6.7 mt-30 -60.68 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.73 -39.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.511 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.5 tt0 -71.71 -48.18 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' GLN . 57.6 mt -56.12 -39.84 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -60.24 -61.65 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -46.86 -50.4 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.511 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 41.9 m-70 -61.72 -45.17 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -58.98 -42.8 90.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' CB ' ' CE3' ' A' ' 54' ' ' TRP . . . -67.19 -44.66 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.98 -43.8 97.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -72.74 -61.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.06 -63.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 91.0 2.16 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.442 ' CE3' ' CB ' ' A' ' 49' ' ' ALA . 18.4 m0 -99.28 150.35 22.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -78.17 -46.31 20.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.6 119.08 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.41 139.73 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.3 119.03 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.9 p -148.17 166.9 26.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.43 -158.19 33.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 86.54 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -115.2 151.01 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t 66.19 38.63 4.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -109.84 113.54 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.816 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -44.85 127.84 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.35 169.43 45.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.0 m -37.46 129.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.831 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -139.53 119.17 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.62 -72.98 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -124.93 113.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -73.2 75.82 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' CD ' ' HE1' ' A' ' 14' ' ' MET . 13.3 ttpt -68.42 -43.29 77.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' LEU . 1.9 mp0 -54.19 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 12' ' ' LEU . 3.1 mm? -37.66 -39.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.17 -49.1 75.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.412 ' HE1' ' CD ' ' A' ' 10' ' ' LYS . 20.8 mtt -60.1 -40.6 90.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -70.1 -42.44 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 2.1 tt -61.77 -41.01 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.5 ttt180 -46.24 -51.33 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -72.06 -17.63 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -42.33 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.433 HG23 ' CG ' ' A' ' 42' ' ' GLU . 54.2 p -109.57 -45.75 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 113.03 -34.96 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.435 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -47.46 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -66.6 179.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' VAL . 76.7 m-85 -68.17 -67.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' PHE . 86.1 t -34.34 -36.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' PHE . 3.9 m-20 -61.93 -67.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 4.3 m -49.06 -46.37 44.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tptp -49.56 -33.45 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.5 tppt? -76.49 -70.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -38.19 -38.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 16' ' ' LEU . 15.6 mt -57.87 -53.42 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -57.69 11.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 m -53.41 -42.17 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.47 -69.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.2 47.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.21 24.86 63.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.5 m-20 -103.7 81.82 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 5.5 mt -34.2 -46.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -55.78 -55.99 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' ALA . 12.3 mm100 -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 16' ' ' LEU . . . -33.75 -46.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.433 ' CG ' HG23 ' A' ' 20' ' ' THR . 8.5 tt0 -61.38 -49.04 78.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 40' ' ' GLN . 43.0 mt -52.0 -49.29 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -53.96 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 53.5 mt -40.2 -60.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.419 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 88.2 m-70 -48.75 -52.32 24.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -55.27 -58.48 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 17.3 mm-40 -52.27 -41.53 62.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.03 81.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -55.49 -40.08 71.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -83.12 -74.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -37.72 -62.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 45.82 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -63.08 -54.63 34.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.308 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -102.63 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.61 125.43 29.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 74.05 44.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.47 -47.4 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -139.75 151.04 45.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.06 76.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 156.51 63.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -86.08 91.43 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 m -70.37 166.78 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -129.13 120.58 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -123.12 118.74 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 176.35 14.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -135.91 155.82 49.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -124.68 144.31 50.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.65 -116.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -81.47 153.71 26.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 p -75.68 89.79 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' NZ ' ' HE2' ' A' ' 14' ' ' MET . 1.0 OUTLIER -49.45 -59.11 4.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -44.67 -52.22 8.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' N ' HD13 ' A' ' 12' ' ' LEU . 10.4 mp -58.49 -40.65 83.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.78 -36.54 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.411 ' HE2' ' NZ ' ' A' ' 10' ' ' LYS . 25.4 mtt -69.85 -36.6 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -78.19 -34.26 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 27' ' ' CYS . 1.9 tm? -71.46 -36.57 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.37 -53.48 56.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -24.02 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -72.43 -65.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.431 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 44.7 p -75.53 -34.22 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.23 -34.12 5.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.488 ' CD1' HD12 ' A' ' 45' ' ' LEU . 60.8 m-85 -45.76 161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.925 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t -64.74 176.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -66.73 -51.24 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.06 -41.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -62.2 -65.03 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 55.8 m -44.6 -58.87 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' CYS . 9.8 ttmm -34.48 -47.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -62.54 -49.88 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' CYS . . . -60.74 -53.65 54.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.4 mt -58.5 -44.57 89.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.46 -57.8 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.4 m -56.19 -39.69 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.28 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 33.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 79.15 -15.4 11.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -62.85 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -39.69 -43.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -55.92 -53.31 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' ALA . 16.1 mm-40 -67.25 -52.02 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -35.07 -44.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 5.4 tt0 -59.87 -54.74 42.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.4 mt -49.28 -52.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -42.25 -61.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 22' ' ' TYR . 18.0 mt -48.4 -43.3 33.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.91 -40.13 94.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.2 mttt -64.46 -47.07 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -43.34 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.68 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.03 -41.6 59.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -75.99 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.79 -63.12 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.84 43.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.3 m0 -61.69 154.94 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -40.69 129.25 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -145.84 145.55 30.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.48 136.11 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.78 41.09 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -75.46 169.71 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.7 -158.19 32.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -134.92 151.98 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t 58.86 42.18 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.703 0.287 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -50.44 -40.03 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.32 -31.78 58.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.31 -41.82 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.1 mtp -65.43 -38.04 88.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -70.59 -48.62 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.1 tp -64.69 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 tmm_? -67.99 -46.53 71.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -80.63 -32.97 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -66.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.5 p -78.53 -51.56 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.19 -13.74 21.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -68.37 152.27 45.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -50.1 161.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 17' ' ' ARG . 45.8 m-85 -59.13 -51.59 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -49.2 -38.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -65.42 -67.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.635 ' HB3' HD23 ' A' ' 16' ' ' LEU . 64.6 m -41.79 -43.89 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.05 -46.48 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -59.21 -53.89 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.485 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -58.53 -33.44 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 34' ' ' CYS . 32.4 mt -70.48 -35.79 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.27 -42.14 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -64.97 -33.08 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HG ' ' HA ' ' A' ' 31' ' ' LEU . 19.5 p -91.24 -46.51 8.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 109.39 56.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.4 56.8 22.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 4.1 m-20 -132.06 87.97 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 4.9 mt -34.41 -46.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -63.06 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.62 -7.84 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -96.98 -36.94 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.72 -37.23 70.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 mt -69.41 -38.91 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -56.25 -72.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 27' ' ' CYS . 32.9 mt -35.92 -57.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -52.07 -48.57 64.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -58.69 -55.55 33.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.58 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 17.4 mm-40 -50.11 -43.54 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.22 80.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -52.65 -43.35 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -75.08 -64.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -53.47 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' LEU . 21.9 ttpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.6 pt-20 -37.39 -48.75 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 22.5 mt -65.93 -38.41 88.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.9 tp -61.43 -37.49 83.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 80.2 mtp -79.99 -32.2 39.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -67.35 -40.76 85.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 27' ' ' CYS . 54.1 tp -67.34 -44.03 80.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.3 ttt180 -37.83 -58.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -54.49 -51.13 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 p -107.22 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 118.44 -25.3 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -44.1 159.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -47.83 176.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 13' ' ' LEU . 2.1 t80 -80.81 -45.59 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.7 -42.97 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.83 -58.73 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HB3' HD23 ' A' ' 16' ' ' LEU . 69.0 m -40.38 -49.35 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -54.57 -42.18 70.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -65.64 -39.63 91.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.24 78.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 38' ' ' LEU . 29.3 mt -61.09 -60.34 3.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -48.37 -54.16 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.0 m -61.34 -34.33 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 91.2 m -99.34 43.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 34.55 62.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.6 65.01 0.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.875 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.7 t0 -126.05 125.51 42.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD22 HD21 ' A' ' 31' ' ' LEU . 2.4 mm? -70.82 -40.59 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -63.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.38 -10.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -72.61 -49.71 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 46' ' ' HIS . 6.3 tt0 -59.59 -51.45 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.4 mt -49.61 -51.6 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 59.9 t90 -51.61 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' TRP . 27.3 mt -36.49 -48.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 10.7 m-70 -59.69 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -55.75 -44.81 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -68.12 -38.48 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.22 -34.48 76.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.88 -40.39 20.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.6 -43.36 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.19 -61.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 14.1 tptm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -44.91 -48.08 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.68 -37.33 86.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.61 -39.18 84.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.474 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 32.7 mmm -67.03 -37.26 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -76.78 -45.85 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 27' ' ' CYS . 47.8 tp -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 3.9 tpt180 -59.84 -44.48 94.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.49 -22.64 35.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -70.54 -40.39 73.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.7 p -105.74 -46.8 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.66 -28.67 8.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -51.44 151.01 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -54.25 145.2 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 52.6 m-85 -43.2 -48.87 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.22 -52.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -54.15 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.9 ' HB3' HD23 ' A' ' 16' ' ' LEU . 71.0 m -47.83 -46.04 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -33.47 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 26.5 tptt -76.63 -71.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -44.92 -33.69 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.615 HD21 HD22 ' A' ' 16' ' ' LEU . 11.5 mt -60.65 -44.17 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -78.79 -51.39 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -49.84 -31.66 12.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -101.38 -40.29 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 109.79 78.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 34.4 39.38 0.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 14.2 t0 -111.7 93.43 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mp -45.24 -59.94 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -52.81 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 11.7 mm-40 -62.25 -8.25 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -93.9 -33.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 13.2 tt0 -70.39 -36.77 74.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG22 ' HE2' ' A' ' 47' ' ' LYS . 19.3 mt -66.49 -41.41 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 89.2 t90 -57.48 -59.42 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -43.76 -45.25 7.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-70 -63.48 -43.93 95.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 43' ' ' ILE . 30.6 mtmt -59.32 -42.41 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 mm-40 -70.02 -38.65 75.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.33 90.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -76.65 -43.79 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.72 -45.67 81.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.58 -59.11 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -43.75 -45.53 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.09 -40.14 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 27' ' ' CYS . 7.0 tp -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.61 -36.91 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' CB ' HD11 ' A' ' 38' ' ' LEU . 19.4 mttt -70.18 -42.44 72.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -68.09 -41.77 81.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 2.3 tmt_? -54.35 -56.97 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -64.59 -34.43 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -58.17 -53.56 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.428 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 51.7 p -87.24 -57.41 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.2 -21.48 8.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.05 165.85 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -44.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 84.3 m-85 -73.44 -64.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . 90.0 t -34.13 -54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -61.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.9 m -47.47 -45.86 26.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.42 -53.39 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -56.53 -46.05 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -56.57 -42.55 78.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 16' ' ' LEU . 40.4 mt -56.59 -45.87 81.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.28 -65.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.3 m -40.92 -41.13 1.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.0 -72.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.67 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.8 28.77 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -107.03 96.25 6.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 15' ' ' LYS . 3.2 mm? -42.31 -37.18 1.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -72.52 -64.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 37' ' ' ASP . 11.3 mm-40 -53.26 -15.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -87.94 -44.98 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 13.8 tt0 -58.47 -37.42 75.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.79 -50.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 85.9 t90 -51.87 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.836 HD11 ' HA ' ' A' ' 27' ' ' CYS . 16.4 mt -40.31 -52.55 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -56.37 -52.62 63.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -51.95 -54.17 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -56.29 -41.6 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.31 74.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -57.07 -39.33 74.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -74.94 -70.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -53.92 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.6 ptmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.755 0.312 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.1 tt0 -47.93 -46.83 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' GLY . 21.8 mt -68.56 -40.71 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.725 ' HA ' HD11 ' A' ' 31' ' ' LEU . 4.0 tp -59.69 -32.3 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.1 mmt -73.77 -35.62 64.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD21 ' A' ' 38' ' ' LEU . 40.1 mtmt -75.26 -59.67 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -44.38 -38.99 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -54.7 -50.52 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.69 1.82 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -104.45 -42.03 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -106.23 -52.51 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.62 -31.7 5.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD2' HD13 ' A' ' 45' ' ' LEU . 34.6 m-85 -40.35 153.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -59.95 169.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -62.7 -49.97 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' ASN . 20.4 m -46.7 -42.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 35.7 m120 -67.73 -70.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.421 ' O ' HD12 ' A' ' 31' ' ' LEU . 99.2 m -43.01 -38.27 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' CA ' HD13 ' A' ' 13' ' ' LEU . 5.2 tmtm? -61.37 -37.33 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 3.1 tppp? -73.59 -71.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -39.56 -39.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -57.38 -58.04 10.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.87 -64.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 m -45.28 -40.7 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.8 -23.71 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 98.13 62.66 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' LEU . . . 41.56 48.6 4.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.743 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.8 t70 -117.94 129.87 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.7 mp -76.37 -36.27 58.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -76.47 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -57.31 -12.43 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -80.14 -51.43 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 6.8 tt0 -49.87 -47.15 52.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.83 -46.99 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.698 ' CE3' ' HB2' ' A' ' 30' ' ' ALA . 85.4 t90 -53.56 -58.77 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' TYR . 51.1 mt -48.33 -50.56 29.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 34.5 m-70 -58.9 -39.66 82.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -65.44 -46.93 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -65.83 -37.97 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.2 83.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -79.86 -44.71 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -63.99 -44.99 91.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.88 -53.91 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.3 ptmm? . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.2 tp10 -50.73 -42.79 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.83 -36.75 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.29 -43.48 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.6 mmm -60.43 -37.44 80.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.79 -48.88 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.5 tp -59.78 -17.92 39.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 14.7 ttp85 -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 4.0 ptm85 -85.8 6.49 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -104.67 -46.26 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.748 HG21 HD12 ' A' ' 45' ' ' LEU . 56.9 p -99.35 -37.92 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.2 30.14 55.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 8.4 m-85 -103.92 164.49 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -50.47 141.12 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 13.8 m-85 -42.77 -62.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -47.6 -46.82 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.44 -64.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB3' HD23 ' A' ' 16' ' ' LEU . 60.1 m -45.26 -46.46 12.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -57.15 -45.72 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -61.0 -36.7 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.14 87.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 16' ' ' LEU . 27.1 mt -64.98 -35.26 80.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.86 -55.16 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' NE1' ' A' ' 44' ' ' TRP . 1.3 t -56.07 -41.91 75.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 33' ' ' THR . 90.9 m -74.88 -55.0 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.21 49.78 0.4 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.64 93.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.4 m-20 -122.4 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.1 mm? -34.23 -38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -61.76 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 43' ' ' ILE . 26.4 mm-40 -59.1 -47.14 86.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.94 -42.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 5.8 tt0 -68.26 -51.05 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 40' ' ' GLN . 37.2 mt -53.3 -33.85 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 75.1 t90 -67.43 -70.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 20' ' ' THR . 59.0 mt -37.37 -55.62 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 m-70 -53.9 -43.73 69.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -61.01 -57.22 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -54.43 -43.52 71.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.19 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.07 -39.74 60.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -79.77 -64.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -60.49 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.744 0.306 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -39.94 -60.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 38' ' ' LEU . 4.0 mm? -50.64 -42.74 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.24 -41.28 97.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mmm -62.26 -39.73 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -70.16 -44.55 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.552 HD21 ' HB1' ' A' ' 41' ' ' ALA . 35.0 tp -68.35 -30.91 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.0 tpt180 -63.13 -35.78 81.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.22 -37.54 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -59.95 -41.61 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 p -99.76 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.23 -30.7 8.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -50.71 142.16 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -44.91 156.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 38.8 m-85 -51.41 -60.51 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' PHE . 83.2 t -35.56 -53.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -57.12 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.9 -61.17 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -40.72 -49.62 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -58.43 -42.34 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -52.36 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.734 HD21 HD23 ' A' ' 38' ' ' LEU . 21.1 mt -55.05 -38.55 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.48 -60.83 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.1 m -51.01 -35.79 36.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.2 m -81.6 -48.19 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.2 65.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.28 43.41 5.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.4 m-20 -117.87 76.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD23 HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -53.4 -61.52 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.5 mm100 -60.58 -49.09 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -33.69 -45.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG22 ' HD2' ' A' ' 47' ' ' LYS . 47.5 mt -50.05 -37.19 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -68.41 -55.5 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.98 -56.57 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -56.91 -40.65 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 43' ' ' ILE . 52.9 mttt -60.49 -40.68 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.29 -34.65 65.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.15 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.12 -43.79 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -62.4 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -86.33 -48.95 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' LEU . 18.4 tttp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.751 0.31 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' LYS . 3.5 tp10 -36.01 -49.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.83 -39.54 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' LYS . 11.4 tp -60.36 -41.29 93.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.0 mtm -71.29 -40.78 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.01 -40.11 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 27' ' ' CYS . 57.5 tp -61.45 -35.41 77.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLY . 27.5 ttp85 -59.93 -43.95 94.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -76.57 -30.43 57.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.86 -43.64 83.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 -53.85 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 124.45 -29.29 5.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -45.65 171.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.382 . . . . 0.0 110.938 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -78.81 177.61 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -68.56 -53.87 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -43.96 -52.53 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.53 -59.05 5.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.814 ' HB3' HD23 ' A' ' 16' ' ' LEU . 77.1 m -44.65 -57.53 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -44.71 -40.38 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -67.1 -50.25 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.08 -54.34 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.619 ' HG ' HD22 ' A' ' 16' ' ' LEU . 14.3 mt -54.19 -35.34 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.27 -57.94 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.9 m -57.5 -33.59 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.4 m -80.02 -57.71 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 58.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.44 40.24 61.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.433 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.91 109.77 15.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.37 -41.21 93.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -59.56 -61.64 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.5 mm100 -60.06 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.53 -49.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.1 tt0 -61.84 -61.81 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.1 mt -42.5 -39.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.14 -65.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -47.96 -52.95 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 12.5 m-70 -58.23 -44.68 88.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.08 -43.11 91.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.22 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -43.33 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -76.14 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -52.48 -62.34 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 tttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.725 0.297 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -44.34 -55.08 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -57.18 -41.14 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.13 -42.64 95.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.99 -23.97 59.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 38' ' ' LEU . 21.8 mtpp -74.69 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' CB ' ' A' ' 27' ' ' CYS . 21.2 tp -54.35 -23.33 15.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 3.3 ttt180 -63.36 -49.95 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -77.75 7.35 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.79 -50.04 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 p -104.79 -36.1 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -28.9 13.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.2 m-85 -42.23 148.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m -61.09 151.41 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 68.7 m-85 -38.59 -61.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' PHE . 80.8 t -36.92 -54.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -54.15 -66.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.647 ' CB ' HD23 ' A' ' 16' ' ' LEU . 91.2 m -42.54 -44.48 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -53.01 -37.43 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.7 tptt -73.04 -71.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -40.77 -41.63 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HG ' HD22 ' A' ' 16' ' ' LEU . 37.6 mt -63.31 -36.59 84.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.0 mm-40 -73.78 -48.86 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.5 m -65.55 -33.83 76.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 m -81.62 -51.87 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.0 57.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.71 41.62 50.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' LEU . 47.9 m-20 -118.86 76.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.0 mp -34.4 -47.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -53.27 -59.87 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.588 ' HA ' HD12 ' A' ' 43' ' ' ILE . 5.3 mm100 -60.46 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.88 -49.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -52.62 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -54.02 -40.46 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.01 -56.29 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' A' ' 22' ' ' TYR . 28.2 mt -48.84 -58.58 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -53.59 -51.94 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -50.82 -39.96 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -72.49 -39.33 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.47 79.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.96 -41.0 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -63.14 -53.72 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.14 -53.24 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.731 0.301 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' HG3' HD23 ' A' ' 12' ' ' LEU . 3.8 pt-20 -48.49 -54.03 15.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD13 ' HE2' ' A' ' 15' ' ' LYS . 3.4 mm? -57.6 -45.07 85.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.57 -32.96 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.4 mtp -83.64 -19.76 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 12' ' ' LEU . 18.5 mtmm -78.15 -40.66 37.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 41' ' ' ALA . 42.5 tp -73.44 -35.72 65.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -58.79 -44.22 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -78.66 6.48 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -109.31 -41.0 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.449 HG22 ' OE1' ' A' ' 42' ' ' GLU . 52.5 p -109.67 -46.7 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' TYR . . . 109.51 -33.74 5.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 45.9 m-85 -37.5 146.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -41.66 146.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -51.41 -47.19 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.74 -47.19 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -59.8 -44.62 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 m -58.25 -51.08 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -48.24 -46.36 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -58.99 -40.33 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.38 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' GLY . 19.2 mt -63.04 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.62 -44.84 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.453 HG21 ' NE1' ' A' ' 44' ' ' TRP . 90.5 m -69.92 -26.63 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -95.7 -22.52 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 87.65 68.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.35 34.8 9.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.812 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 t0 -102.24 121.03 41.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -74.57 -43.19 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -68.58 -55.91 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 4.3 mm100 -62.88 -32.82 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -48.61 -54.63 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.4 tt0 -62.16 -55.1 32.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -46.15 -37.14 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' NE1' HG21 ' A' ' 33' ' ' THR . 84.6 t90 -67.17 -60.14 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 22' ' ' TYR . 19.7 mt -43.27 -57.37 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 42.2 m-70 -55.06 -51.38 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -50.9 -43.77 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -73.6 -32.02 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.52 -22.43 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -99.74 -33.66 10.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -72.2 -52.44 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.27 -57.08 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.698 0.285 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -44.64 -58.76 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -42.7 71.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.8 tp -60.24 -46.04 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.3 mmm -56.67 -42.45 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -69.13 -41.58 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 27' ' ' CYS . 25.2 tp -65.9 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 ttp85 -40.69 -49.59 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -80.24 -37.5 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -50.56 -39.77 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 p -110.29 -46.23 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.85 32.62 12.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -105.86 178.97 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -58.45 142.41 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 10.9 m-85 -48.22 -57.46 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.49 -44.42 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -53.5 -54.3 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.65 ' HB3' HD23 ' A' ' 16' ' ' LEU . 23.2 m -50.42 -44.8 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -58.26 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -49.02 -46.9 44.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.25 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 13' ' ' LEU . 25.6 mt -62.14 -27.14 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -83.16 -50.45 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -60.6 -40.85 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' THR . 45.5 m -74.66 -61.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 48.96 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.57 40.45 96.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.1 m-20 -119.83 83.87 2.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.9 mp -35.15 -41.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.91 -60.65 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 43' ' ' ILE . 10.8 mm100 -60.83 -49.23 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.56 -50.06 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -57.1 -57.6 11.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 40' ' ' GLN . 20.8 mt -45.68 -47.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.691 ' CD1' HG21 ' A' ' 33' ' ' THR . 70.6 t90 -54.17 -66.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -43.77 -41.84 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -67.11 -40.68 86.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -61.38 -50.59 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 21.6 mm-40 -62.3 -40.14 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.19 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.03 -37.66 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' CE ' ' OE2' ' A' ' 48' ' ' GLU . 17.9 mtmm -85.72 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -47.4 -63.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -45.99 -65.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.492 HD13 ' NZ ' ' A' ' 15' ' ' LYS . 3.5 mm? -46.04 -40.8 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.9 tp -67.09 -38.52 85.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.3 mmm -69.42 -34.59 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' NZ ' HD13 ' A' ' 12' ' ' LEU . 7.1 mtmp? -73.39 -40.27 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 tp -70.24 -46.57 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -40.31 -48.15 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.32 -32.13 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -57.96 -40.01 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -111.34 -46.47 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.66 -34.2 4.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.674 ' CD2' HD13 ' A' ' 45' ' ' LEU . 72.6 m-85 -41.0 139.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -42.94 150.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 27.3 m-85 -49.58 -53.85 21.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -49.77 -44.78 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.8 -57.48 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.04 -51.54 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -47.35 -45.29 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -60.79 -44.63 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -63.19 -45.24 92.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 13' ' ' LEU . 21.3 mt -59.74 -37.63 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.59 -48.14 50.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.696 HG21 ' NE1' ' A' ' 44' ' ' TRP . 87.3 m -65.04 -24.65 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 69.9 m -101.96 -19.15 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 81.43 74.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.55 33.96 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.734 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 7.4 t0 -101.59 108.92 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HZ3' ' A' ' 15' ' ' LYS . 5.5 mt -62.75 -52.58 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -58.78 -62.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 2.4 mm100 -56.52 -39.75 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -41.47 -52.89 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 9.2 tt0 -62.99 -54.88 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.1 mt -44.94 -40.29 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.696 ' NE1' HG21 ' A' ' 33' ' ' THR . 46.4 t90 -63.99 -61.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 22' ' ' TYR . 53.7 mt -44.43 -60.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.582 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 23.4 m-70 -49.22 -46.55 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -56.99 -49.58 75.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.35 81.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.49 -42.95 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -76.7 -63.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.97 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.746 0.307 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LYS . 10.2 tp10 -37.55 -58.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.64 -40.9 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' CA ' ' A' ' 28' ' ' LYS . 26.2 tp -60.4 -40.45 90.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.11 -37.55 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -66.48 -45.75 78.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.834 HD22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 tp -62.88 -36.24 82.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.1 tpt85 -55.44 -48.58 74.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.8 ptt180 -76.8 -38.93 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -57.29 -43.89 83.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 p -101.43 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 110.33 -31.76 7.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -43.71 166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -46.55 173.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' LEU . 2.0 t80 -79.36 -53.36 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -56.19 -44.05 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -55.1 -62.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.698 ' HB3' HD23 ' A' ' 16' ' ' LEU . 90.5 m -40.4 -52.27 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CA ' HD13 ' A' ' 13' ' ' LEU . 20.9 ttpt -46.61 -55.29 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.5 -39.39 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.56 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HG ' HD22 ' A' ' 16' ' ' LEU . 12.5 mt -53.54 -47.2 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.18 -66.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 m -48.65 -42.64 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.93 -37.78 76.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.54 58.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.0 52.25 27.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 103.44 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD22 HD21 ' A' ' 31' ' ' LEU . 3.5 mm? -56.87 -37.74 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -61.6 -57.6 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 43' ' ' ILE . 15.4 mm-40 -62.13 -50.76 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.61 -48.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 7.9 tt0 -62.95 -53.72 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 40' ' ' GLN . 24.9 mt -53.66 -40.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -63.68 -61.1 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.24 -58.4 3.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.585 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.7 m-70 -50.55 -49.0 57.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -54.65 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.89 -33.65 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.1 -27.45 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.21 -33.37 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -35.99 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.26 105.85 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.76 0.314 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -73.75 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 38' ' ' LEU . 11.1 mp -52.83 -31.91 41.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 24' ' ' PHE . 5.6 tp -66.12 -24.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mmt -78.73 -26.7 44.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 20.7 mtpp -85.62 -47.73 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.909 HD23 ' HB3' ' A' ' 27' ' ' CYS . 22.3 tp -52.41 -27.6 16.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -68.31 -43.03 78.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 12.2 ptp180 -77.09 -27.7 54.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -74.25 -47.34 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.6 p -94.14 -56.3 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.88 -19.62 25.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' SER . 65.6 m-85 -56.8 152.47 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' TYR . 36.4 m -37.62 156.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -62.33 -47.03 86.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.79 -43.75 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -53.26 -56.81 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.909 ' HB3' HD23 ' A' ' 16' ' ' LEU . 84.5 m -49.18 -44.88 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -53.79 -58.77 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -50.74 -37.93 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 38' ' ' LEU . 19.5 mt -64.84 -32.88 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.31 -51.96 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.692 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -58.84 -41.49 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 33' ' ' THR . 19.4 m -73.97 -63.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.89 58.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.45 45.76 29.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 12.1 m-20 -126.68 83.65 2.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 31' ' ' LEU . 5.6 mt -33.89 -46.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -56.46 -56.99 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' A' ' 43' ' ' ILE . 17.4 mm100 -62.47 -51.15 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.41 -48.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 10.1 tt0 -60.28 -48.13 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 40' ' ' GLN . 81.8 mt -52.75 -44.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CD1' HG21 ' A' ' 33' ' ' THR . 83.5 t90 -61.97 -57.75 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.99 -55.69 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.0 m-70 -53.94 -48.15 70.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -55.0 -45.22 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.73 -44.3 93.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.27 -43.44 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -53.6 -42.04 67.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -78.55 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -59.0 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG2' ' CE ' ' A' ' 14' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.717 0.294 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.59 -44.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.6 -42.23 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.19 -45.17 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.434 ' CE ' ' HG2' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.62 -39.46 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.3 mttm -66.0 -46.25 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 27' ' ' CYS . 7.8 tp -71.75 -33.79 68.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -44.09 -46.76 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 3.6 ptm85 -79.05 -48.7 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.552 HG21 HD12 ' A' ' 45' ' ' LEU . 24.9 p -73.97 -41.48 61.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.68 36.65 61.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -112.69 178.81 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.7 m -53.79 134.67 42.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 17' ' ' ARG . 14.2 m-85 -46.63 -48.18 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -64.28 -41.21 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -56.83 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.695 ' HB3' HD23 ' A' ' 16' ' ' LEU . 86.1 m -39.29 -58.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -42.27 -54.51 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -46.91 -41.31 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.13 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' HD22 ' A' ' 16' ' ' LEU . 18.6 mt -53.33 -45.92 69.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.83 -69.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.9 m -42.38 -35.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.5 m -83.08 -68.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 143.66 64.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 36.24 51.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -131.9 98.29 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mp -39.79 -48.94 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -63.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -56.43 -20.35 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.04 -35.12 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.533 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 50.7 tt0 -67.43 -35.74 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.06 -37.71 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 78.8 t90 -60.91 -69.13 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 20' ' ' THR . 19.5 mt -42.83 -56.3 3.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.533 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 37.0 m170 -51.68 -40.15 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -68.59 -60.05 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -51.63 -37.27 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.93 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.54 -45.53 37.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -47.6 63.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.74 -63.71 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 1.4 tmtp? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.82 -59.44 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 HD21 ' A' ' 38' ' ' LEU . 3.7 mm? -51.92 -41.94 62.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.7 tp -59.78 -43.23 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.3 mtp -70.9 -36.16 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.71 -40.08 88.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.85 -29.34 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 36.3 ttp85 -54.98 -49.04 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -79.48 -42.99 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 4.4 mtmp? -53.48 -38.43 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 p -103.53 -47.63 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.05 -36.21 4.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -48.19 157.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.6 m -65.76 179.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 69.8 m-85 -62.23 -50.55 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -45.03 -50.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 13' ' ' LEU . 71.4 m -50.45 -58.49 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -42.45 -38.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.5 tptt -71.63 -71.45 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.23 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 38.0 mm-40 -74.89 -51.89 12.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.544 HG21 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -60.05 -40.79 90.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 33' ' ' THR . 62.5 m -77.71 -55.09 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.72 54.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.09 27.32 62.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 5.9 m-20 -100.66 76.63 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 HD12 ' A' ' 12' ' ' LEU . 5.1 mt -34.22 -46.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.14 -61.38 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' ALA . 5.3 mm100 -61.39 -50.46 72.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.25 -47.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.3 tt0 -62.42 -62.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 29.8 mt -48.6 -36.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CE2' HG21 ' A' ' 33' ' ' THR . 72.7 t90 -59.77 -69.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -43.62 -53.24 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 43.9 m-70 -56.37 -48.63 76.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 43' ' ' ILE . 70.6 mttt -55.65 -46.43 77.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -63.23 -44.17 96.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.28 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -78.24 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.79 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' LEU . 6.7 tttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.746 0.308 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -37.94 -51.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD21 ' A' ' 38' ' ' LEU . 3.4 mm? -60.95 -34.75 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 27' ' ' CYS . 18.3 tp -69.66 -34.33 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.471 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 31.0 mmm -63.48 -37.62 88.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.75 -57.75 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.76 -13.84 27.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 22' ' ' TYR . 2.8 tpm_? -61.02 -55.88 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 3.8 ptm85 -82.64 6.27 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -88.71 -46.11 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.697 HG21 HD12 ' A' ' 45' ' ' LEU . 28.3 p -93.04 -57.64 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.36 6.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HD13 ' A' ' 45' ' ' LEU . 44.4 m-85 -100.85 -175.37 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.7 t -63.62 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 13' ' ' LEU . 12.7 t80 -41.17 -29.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -82.47 -36.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' SER . 3.0 m120 -50.82 -52.69 38.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' LEU . 1.8 m -61.47 -55.31 32.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CA ' HD13 ' A' ' 13' ' ' LEU . 15.9 tttm -44.2 -42.5 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -66.92 -51.45 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -54.13 -42.02 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 36' ' ' GLY . 21.4 mt -60.8 -44.37 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.23 -58.34 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.585 HG21 ' NE1' ' A' ' 44' ' ' TRP . 59.4 m -49.42 -40.12 35.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.6 m -84.56 -28.41 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 95.8 69.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 46.72 32.41 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.804 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 t0 -100.73 122.64 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 12' ' ' LEU . 5.0 mt -74.69 -47.63 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -64.59 -59.12 4.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -57.75 -44.1 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -38.63 -53.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 3.9 tt0 -58.35 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.02 -41.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.585 ' NE1' HG21 ' A' ' 33' ' ' THR . 59.8 t90 -63.93 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 20' ' ' THR . 49.8 mt -47.32 -59.52 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.587 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 15.2 m-70 -52.15 -44.32 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -59.93 -42.44 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.67 -36.59 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.05 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.68 -45.03 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -74.11 -61.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.41 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.702 0.287 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -44.04 -50.68 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.25 -46.57 89.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 27' ' ' CYS . 5.0 tp -50.01 -46.42 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.483 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.8 mmt -51.86 -35.68 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -74.44 -54.33 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' CYS . 35.9 tp -55.04 -39.18 68.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -41.87 -56.54 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -77.13 -38.22 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -47.18 -41.37 17.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -113.02 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 29.95 7.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' SER . 27.0 m-85 -97.42 159.13 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' TYR . 64.1 m -35.61 149.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.462 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -60.22 -30.62 69.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.2 -31.29 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -61.3 -50.43 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 16' ' ' LEU . 97.5 m -57.27 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -40.26 -33.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLU . 15.3 tptm -75.23 -71.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -37.01 -40.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.9 mt -63.55 -41.88 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' LYS . 50.2 mm-40 -72.13 -57.84 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m -52.19 -37.9 56.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -80.41 -51.53 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.61 64.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.33 30.53 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.8 m-20 -104.94 78.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.579 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.09 -46.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -53.09 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 6.7 mt-30 -60.68 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.73 -39.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.5 tt0 -71.71 -48.18 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.614 HG22 ' HD2' ' A' ' 47' ' ' LYS . 57.6 mt -56.12 -39.84 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -60.24 -61.65 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -46.86 -50.4 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 41.9 m-70 -61.72 -45.17 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.2 mttm -58.98 -42.8 90.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.66 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.98 -43.8 97.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -72.74 -61.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.06 -63.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.719 0.295 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' LEU . 1.9 mp0 -54.19 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 3.1 mm? -37.66 -39.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.6 tp -63.17 -49.1 75.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.8 mtt -60.1 -40.6 90.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -70.1 -42.44 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 27' ' ' CYS . 2.1 tt -61.77 -41.01 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.5 ttt180 -46.24 -51.33 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -72.06 -17.63 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -42.33 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.444 HG22 ' CG ' ' A' ' 42' ' ' GLU . 54.2 p -109.57 -45.75 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 113.03 -34.96 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.435 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -47.46 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -66.6 179.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.474 ' CA ' HD11 ' A' ' 13' ' ' LEU . 76.7 m-85 -68.17 -67.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' PHE . 86.1 t -34.34 -36.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' PHE . 3.9 m-20 -61.93 -67.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.862 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.3 m -49.06 -46.37 44.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.5 tptp -49.56 -33.45 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.5 tppt? -76.49 -70.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' HE3' ' A' ' 44' ' ' TRP . . . -38.19 -38.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.6 mt -57.87 -53.42 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -57.69 11.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 m -53.41 -42.17 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.47 -69.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.2 47.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.21 24.86 63.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.5 m-20 -103.7 81.82 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.2 -46.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -55.78 -55.99 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' ILE . 12.3 mm100 -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -33.75 -46.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.5 tt0 -61.38 -49.04 78.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' GLN . 43.0 mt -52.0 -49.29 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -53.96 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD12 HG21 ' A' ' 20' ' ' THR . 53.5 mt -40.2 -60.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.434 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 88.2 m-70 -48.75 -52.32 24.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -55.27 -58.48 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 17.3 mm-40 -52.27 -41.53 62.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.03 81.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -55.49 -40.08 71.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -83.12 -74.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -37.72 -62.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' HE2' ' A' ' 14' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -44.67 -52.22 8.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 36' ' ' GLY . 10.4 mp -58.49 -40.65 83.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.78 -36.54 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.466 ' HE2' ' HD3' ' A' ' 10' ' ' LYS . 25.4 mtt -69.85 -36.6 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -78.19 -34.26 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 27' ' ' CYS . 1.9 tm? -71.46 -36.57 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.37 -53.48 56.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -24.02 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -72.43 -65.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.435 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 44.7 p -75.53 -34.22 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.23 -34.12 5.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.736 ' CD1' HD13 ' A' ' 45' ' ' LEU . 60.8 m-85 -45.76 161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.925 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t -64.74 176.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -66.73 -51.24 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.06 -41.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -62.2 -65.03 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 16' ' ' LEU . 55.8 m -44.6 -58.87 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' CYS . 9.8 ttmm -34.48 -47.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -62.54 -49.88 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' CYS . . . -60.74 -53.65 54.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 41' ' ' ALA . 17.4 mt -58.5 -44.57 89.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.46 -57.8 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.4 m -56.19 -39.69 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.28 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 33.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 79.15 -15.4 11.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -62.85 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -39.69 -43.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -55.92 -53.31 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 43' ' ' ILE . 16.1 mm-40 -67.25 -52.02 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.709 ' HB2' HD23 ' A' ' 31' ' ' LEU . . . -35.07 -44.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 5.4 tt0 -59.87 -54.74 42.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -49.28 -52.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -42.25 -61.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.736 HD13 ' CD1' ' A' ' 22' ' ' TYR . 18.0 mt -48.4 -43.3 33.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -64.91 -40.13 94.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HD2' HG22 ' A' ' 43' ' ' ILE . 39.2 mttt -64.46 -47.07 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -43.34 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.68 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.03 -41.6 59.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -75.99 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.79 -63.12 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -149.58 160.9 43.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -154.42 165.55 36.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.52 -103.66 2.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -65.53 96.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -59.09 116.32 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.24 58.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -164.17 143.8 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.8 p -118.03 90.83 3.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.22 -50.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -50.44 -40.03 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.32 -31.78 58.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.31 -41.82 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.1 mtp -65.43 -38.04 88.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -70.59 -48.62 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.1 tp -64.69 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 tmm_? -67.99 -46.53 71.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -80.63 -32.97 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -66.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.5 p -78.53 -51.56 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.19 -13.74 21.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -68.37 152.27 45.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -50.1 161.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 17' ' ' ARG . 45.8 m-85 -59.13 -51.59 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -49.2 -38.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -65.42 -67.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.635 ' HB3' HD23 ' A' ' 16' ' ' LEU . 64.6 m -41.79 -43.89 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.05 -46.48 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -59.21 -53.89 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.485 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -58.53 -33.44 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 34' ' ' CYS . 32.4 mt -70.48 -35.79 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.27 -42.14 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -64.97 -33.08 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HG ' ' HA ' ' A' ' 31' ' ' LEU . 19.5 p -91.24 -46.51 8.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 109.39 56.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.4 56.8 22.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 4.1 m-20 -132.06 87.97 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 4.9 mt -34.41 -46.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -63.06 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.62 -7.84 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -96.98 -36.94 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.72 -37.23 70.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 mt -69.41 -38.91 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -56.25 -72.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 27' ' ' CYS . 32.9 mt -35.92 -57.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -52.07 -48.57 64.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -58.69 -55.55 33.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.58 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 17.4 mm-40 -50.11 -43.54 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -58.09 -48.22 80.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -52.65 -43.35 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -75.08 -64.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -53.47 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.58 46.21 1.15 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.645 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 14.9 m0 -63.62 -55.84 20.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.0 t -108.76 146.88 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ALA . 7.9 tmtm? -56.75 -59.3 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . . . -36.33 147.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.57 123.42 27.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 m -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.2 82.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 115.98 4.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.398 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -118.74 157.54 27.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.1 m -94.55 158.01 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -129.58 132.06 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 t -48.53 103.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.15 143.67 16.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -101.13 -52.38 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -92.45 109.38 20.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.11 -176.16 19.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 p -79.91 143.06 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -100.87 96.72 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' LEU . 21.9 ttpt -119.15 -60.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.6 pt-20 -37.39 -48.75 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 22.5 mt -65.93 -38.41 88.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.9 tp -61.43 -37.49 83.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 80.2 mtp -79.99 -32.2 39.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -67.35 -40.76 85.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 27' ' ' CYS . 54.1 tp -67.34 -44.03 80.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.3 ttt180 -37.83 -58.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -54.49 -51.13 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 p -107.22 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 118.44 -25.3 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -44.1 159.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -47.83 176.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 13' ' ' LEU . 2.1 t80 -80.81 -45.59 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.7 -42.97 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.83 -58.73 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HB3' HD23 ' A' ' 16' ' ' LEU . 69.0 m -40.38 -49.35 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -54.57 -42.18 70.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -65.64 -39.63 91.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.24 78.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 38' ' ' LEU . 29.3 mt -61.09 -60.34 3.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -48.37 -54.16 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.0 m -61.34 -34.33 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 91.2 m -99.34 43.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 34.55 62.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.6 65.01 0.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.875 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.7 t0 -126.05 125.51 42.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD22 HD21 ' A' ' 31' ' ' LEU . 2.4 mm? -70.82 -40.59 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -63.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.38 -10.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -72.61 -49.71 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 46' ' ' HIS . 6.3 tt0 -59.59 -51.45 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.4 mt -49.61 -51.6 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 59.9 t90 -51.61 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' TRP . 27.3 mt -36.49 -48.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 10.7 m-70 -59.69 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -55.75 -44.81 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -68.12 -38.48 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . . . -62.22 -34.48 76.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.88 -40.39 20.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.6 -43.36 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.19 -61.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.75 74.24 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 49' ' ' ALA . 22.0 m0 -97.89 178.17 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 t -79.92 -53.49 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -81.31 136.14 35.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -168.78 160.1 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.31 -57.91 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.0 p -75.24 134.18 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.67 -90.73 0.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -40.27 5.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -105.88 152.46 23.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.2 p -127.1 111.32 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.3 t -37.0 119.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -119.48 141.28 49.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.29 97.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -73.44 119.28 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -76.17 159.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.2 -44.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 p -147.27 116.77 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -100.71 39.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 14.1 tptm -75.14 -68.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -44.91 -48.08 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.68 -37.33 86.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.61 -39.18 84.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.474 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 32.7 mmm -67.03 -37.26 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -76.78 -45.85 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 27' ' ' CYS . 47.8 tp -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 3.9 tpt180 -59.84 -44.48 94.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.49 -22.64 35.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -70.54 -40.39 73.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.7 p -105.74 -46.8 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.66 -28.67 8.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -51.44 151.01 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -54.25 145.2 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 52.6 m-85 -43.2 -48.87 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.22 -52.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -54.15 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.9 ' HB3' HD23 ' A' ' 16' ' ' LEU . 71.0 m -47.83 -46.04 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -33.47 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 26.5 tptt -76.63 -71.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -44.92 -33.69 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.615 HD21 HD22 ' A' ' 16' ' ' LEU . 11.5 mt -60.65 -44.17 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -78.79 -51.39 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -49.84 -31.66 12.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -101.38 -40.29 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 109.79 78.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 34.4 39.38 0.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 14.2 t0 -111.7 93.43 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mp -45.24 -59.94 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -52.81 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 11.7 mm-40 -62.25 -8.25 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -93.9 -33.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 13.2 tt0 -70.39 -36.77 74.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG22 ' HE2' ' A' ' 47' ' ' LYS . 19.3 mt -66.49 -41.41 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 89.2 t90 -57.48 -59.42 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -43.76 -45.25 7.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-70 -63.48 -43.93 95.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 43' ' ' ILE . 30.6 mtmt -59.32 -42.41 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 mm-40 -70.02 -38.65 75.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.715 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -63.93 -38.33 90.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -76.65 -43.79 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.72 -45.67 81.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.58 -59.11 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.32 81.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.715 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 29.9 m0 -92.57 163.87 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.335 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -123.96 105.13 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -125.55 -58.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.08 163.49 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.15 -49.61 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 p -108.67 173.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.11 153.48 19.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -47.29 114.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -103.48 -40.22 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 45.03 42.11 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -87.37 162.18 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.42 159.05 29.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -80.59 123.35 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -68.88 128.47 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.78 -109.36 1.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 t -71.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -82.48 41.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -38.03 -56.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -43.75 -45.53 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.09 -40.14 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 27' ' ' CYS . 7.0 tp -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.61 -36.91 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' CB ' HD11 ' A' ' 38' ' ' LEU . 19.4 mttt -70.18 -42.44 72.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -68.09 -41.77 81.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 2.3 tmt_? -54.35 -56.97 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -64.59 -34.43 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -58.17 -53.56 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.428 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 51.7 p -87.24 -57.41 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.2 -21.48 8.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.05 165.85 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -44.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 84.3 m-85 -73.44 -64.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . 90.0 t -34.13 -54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -61.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.9 m -47.47 -45.86 26.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.42 -53.39 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -56.53 -46.05 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -56.57 -42.55 78.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 16' ' ' LEU . 40.4 mt -56.59 -45.87 81.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.28 -65.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.3 m -40.92 -41.13 1.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.0 -72.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.67 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.8 28.77 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -107.03 96.25 6.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 15' ' ' LYS . 3.2 mm? -42.31 -37.18 1.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -72.52 -64.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 37' ' ' ASP . 11.3 mm-40 -53.26 -15.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -87.94 -44.98 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 13.8 tt0 -58.47 -37.42 75.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.79 -50.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 85.9 t90 -51.87 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.836 HD11 ' HA ' ' A' ' 27' ' ' CYS . 16.4 mt -40.31 -52.55 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -56.37 -52.62 63.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -51.95 -54.17 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -56.29 -41.6 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.31 74.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -57.07 -39.33 74.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -74.94 -70.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -53.92 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.18 60.03 0.44 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ2' ' HB3' ' A' ' 48' ' ' GLU . 14.4 m0 -80.96 -61.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 t -42.22 161.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm 61.81 42.71 10.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.92 81.46 6.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.25 46.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -87.7 176.26 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.08 -159.78 26.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 137.64 35.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t 68.33 38.89 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -65.4 124.48 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -79.36 118.72 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -94.15 82.36 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.87 151.82 5.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -80.5 166.01 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.2 p -63.0 116.06 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.57 -177.23 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 p -78.12 159.48 28.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 p -87.67 84.64 7.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.6 ptmt -119.52 -30.55 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.1 tt0 -47.93 -46.83 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' GLY . 21.8 mt -68.56 -40.71 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.725 ' HA ' HD11 ' A' ' 31' ' ' LEU . 4.0 tp -59.69 -32.3 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.1 mmt -73.77 -35.62 64.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD21 ' A' ' 38' ' ' LEU . 40.1 mtmt -75.26 -59.67 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -44.38 -38.99 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -54.7 -50.52 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.69 1.82 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -104.45 -42.03 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -106.23 -52.51 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.62 -31.7 5.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD2' HD13 ' A' ' 45' ' ' LEU . 34.6 m-85 -40.35 153.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -59.95 169.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -62.7 -49.97 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' ASN . 20.4 m -46.7 -42.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 35.7 m120 -67.73 -70.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.421 ' O ' HD12 ' A' ' 31' ' ' LEU . 99.2 m -43.01 -38.27 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' CA ' HD13 ' A' ' 13' ' ' LEU . 5.2 tmtm? -61.37 -37.33 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 3.1 tppp? -73.59 -71.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -39.56 -39.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -57.38 -58.04 10.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.87 -64.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 m -45.28 -40.7 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.8 -23.71 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 98.13 62.66 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' LEU . . . 41.56 48.6 4.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.743 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.8 t70 -117.94 129.87 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.7 mp -76.37 -36.27 58.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -76.47 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -57.31 -12.43 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -80.14 -51.43 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 6.8 tt0 -49.87 -47.15 52.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.83 -46.99 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.698 ' CE3' ' HB2' ' A' ' 30' ' ' ALA . 85.4 t90 -53.56 -58.77 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' TYR . 51.1 mt -48.33 -50.56 29.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 34.5 m-70 -58.9 -39.66 82.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -65.44 -46.93 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -65.83 -37.97 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.692 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -63.56 -36.2 83.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -79.86 -44.71 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -63.99 -44.99 91.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.88 -53.91 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.63 86.14 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.692 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 19.6 m0 -93.84 167.34 11.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -70.19 91.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -107.59 140.41 40.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.59 99.2 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 43.23 37.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -51.89 128.95 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.12 146.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -38.11 8.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.602 2.201 . . . . 0.0 112.384 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 t -70.21 147.7 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 p -74.24 127.52 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' C ' ' HG3' ' A' ' 42' ' ' GLU . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -51.33 98.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -93.85 87.06 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.23 -151.15 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 p -103.57 128.08 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -73.09 -51.07 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.96 -106.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -142.92 140.65 31.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -56.03 -44.08 78.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.3 ptmm? -43.49 -27.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.2 tp10 -50.73 -42.79 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.83 -36.75 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.29 -43.48 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.6 mmm -60.43 -37.44 80.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.79 -48.88 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.5 tp -59.78 -17.92 39.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 14.7 ttp85 -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 4.0 ptm85 -85.8 6.49 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -104.67 -46.26 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.748 HG21 HD12 ' A' ' 45' ' ' LEU . 56.9 p -99.35 -37.92 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.2 30.14 55.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 8.4 m-85 -103.92 164.49 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -50.47 141.12 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 13.8 m-85 -42.77 -62.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -47.6 -46.82 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.44 -64.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB3' HD23 ' A' ' 16' ' ' LEU . 60.1 m -45.26 -46.46 12.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -57.15 -45.72 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -61.0 -36.7 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.14 87.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 16' ' ' LEU . 27.1 mt -64.98 -35.26 80.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.86 -55.16 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' NE1' ' A' ' 44' ' ' TRP . 1.3 t -56.07 -41.91 75.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 33' ' ' THR . 90.9 m -74.88 -55.0 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.21 49.78 0.4 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.64 93.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.4 m-20 -122.4 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.1 mm? -34.23 -38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -61.76 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 43' ' ' ILE . 26.4 mm-40 -59.1 -47.14 86.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.94 -42.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 5.8 tt0 -68.26 -51.05 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 40' ' ' GLN . 37.2 mt -53.3 -33.85 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 75.1 t90 -67.43 -70.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 20' ' ' THR . 59.0 mt -37.37 -55.62 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 m-70 -53.9 -43.73 69.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -61.01 -57.22 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -54.43 -43.52 71.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.19 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.07 -39.74 60.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -79.77 -64.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -60.49 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.34 58.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 48' ' ' GLU . 13.0 m0 -83.1 44.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.2 t -154.48 134.91 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -123.49 88.31 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.67 112.18 15.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.29 92.59 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.2 p -165.05 171.89 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.63 71.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -46.67 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.624 2.216 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 p -165.68 141.68 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -73.48 108.46 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -59.4 -50.5 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m 41.9 42.25 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -143.43 4.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 64.94 42.18 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -98.88 115.53 29.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.82 -83.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -82.04 142.61 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -82.35 92.0 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -78.87 -53.16 7.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -39.94 -60.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 38' ' ' LEU . 4.0 mm? -50.64 -42.74 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.24 -41.28 97.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mmm -62.26 -39.73 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -70.16 -44.55 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD21 ' HB1' ' A' ' 41' ' ' ALA . 35.0 tp -68.35 -30.91 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.0 tpt180 -63.13 -35.78 81.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.22 -37.54 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -59.95 -41.61 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 p -99.76 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.23 -30.7 8.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -50.71 142.16 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -44.91 156.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 38.8 m-85 -51.41 -60.51 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' PHE . 83.2 t -35.56 -53.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -57.12 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.9 -61.17 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -40.72 -49.62 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -58.43 -42.34 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -52.36 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.734 HD21 HD23 ' A' ' 38' ' ' LEU . 21.1 mt -55.05 -38.55 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.48 -60.83 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.1 m -51.01 -35.79 36.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.2 m -81.6 -48.19 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.2 65.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.28 43.41 5.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.4 m-20 -117.87 76.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD23 HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -53.4 -61.52 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.5 mm100 -60.58 -49.09 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -33.69 -45.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG22 ' HD2' ' A' ' 47' ' ' LYS . 47.5 mt -50.05 -37.19 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -68.41 -55.5 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.98 -56.57 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -56.91 -40.65 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 43' ' ' ILE . 52.9 mttt -60.49 -40.68 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.29 -34.65 65.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -66.63 -34.15 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.12 -43.79 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -62.4 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -86.33 -48.95 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.08 69.71 0.97 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 27.7 m0 -76.26 127.4 32.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -38.68 -55.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -61.97 102.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.17 145.21 48.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.3 91.18 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.5 p -72.53 -46.43 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.18 -160.2 11.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 177.45 5.6 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 63' ' ' SER . 85.3 p -104.01 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' SER . 22.9 t 36.05 48.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -107.43 141.41 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -41.69 113.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.97 -101.0 2.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -125.88 134.24 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -103.65 153.01 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.45 -78.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -80.95 92.97 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' HD12 ' A' ' 12' ' ' LEU . 20.5 t -102.61 89.29 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' LEU . 18.4 tttp -99.4 -55.43 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' LYS . 3.5 tp10 -36.01 -49.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD12 ' OG ' ' A' ' 9' ' ' SER . 28.4 mt -66.83 -39.54 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' LYS . 11.4 tp -60.36 -41.29 93.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.0 mtm -71.29 -40.78 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.01 -40.11 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 27' ' ' CYS . 57.5 tp -61.45 -35.41 77.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLY . 27.5 ttp85 -59.93 -43.95 94.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -76.57 -30.43 57.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.86 -43.64 83.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 -53.85 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 124.45 -29.29 5.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -45.65 171.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.382 . . . . 0.0 110.938 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -78.81 177.61 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -68.56 -53.87 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -43.96 -52.53 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.53 -59.05 5.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.814 ' HB3' HD23 ' A' ' 16' ' ' LEU . 77.1 m -44.65 -57.53 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -44.71 -40.38 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -67.1 -50.25 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.08 -54.34 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.619 ' HG ' HD22 ' A' ' 16' ' ' LEU . 14.3 mt -54.19 -35.34 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.27 -57.94 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.9 m -57.5 -33.59 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.4 m -80.02 -57.71 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 58.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.44 40.24 61.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.433 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.91 109.77 15.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.37 -41.21 93.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -59.56 -61.64 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.5 mm100 -60.06 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.53 -49.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.1 tt0 -61.84 -61.81 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 75.1 mt -42.5 -39.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.14 -65.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -47.96 -52.95 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 12.5 m-70 -58.23 -44.68 88.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.08 -43.11 91.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.581 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -57.22 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -43.33 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -76.14 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -52.48 -62.34 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.35 48.79 0.9 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.581 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 13.2 m0 -68.27 88.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -157.31 162.95 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -101.29 -59.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.82 -54.66 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -47.4 115.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 p -71.71 -47.35 54.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.34 83.31 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.631 2.22 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -135.46 143.26 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -104.49 -64.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -149.38 123.77 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -90.39 166.45 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.14 66.3 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -69.82 89.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -64.74 158.28 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.16 -111.75 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 t -44.27 122.54 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -121.92 91.52 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -108.86 -42.32 4.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -44.34 -55.08 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -57.18 -41.14 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.13 -42.64 95.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.99 -23.97 59.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 38' ' ' LEU . 21.8 mtpp -74.69 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' CB ' ' A' ' 27' ' ' CYS . 21.2 tp -54.35 -23.33 15.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 3.3 ttt180 -63.36 -49.95 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -77.75 7.35 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.79 -50.04 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 p -104.79 -36.1 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -28.9 13.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.2 m-85 -42.23 148.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m -61.09 151.41 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 68.7 m-85 -38.59 -61.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' PHE . 80.8 t -36.92 -54.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -54.15 -66.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.647 ' CB ' HD23 ' A' ' 16' ' ' LEU . 91.2 m -42.54 -44.48 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -53.01 -37.43 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.7 tptt -73.04 -71.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -40.77 -41.63 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HG ' HD22 ' A' ' 16' ' ' LEU . 37.6 mt -63.31 -36.59 84.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.0 mm-40 -73.78 -48.86 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.5 m -65.55 -33.83 76.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 m -81.62 -51.87 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.0 57.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.71 41.62 50.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' LEU . 47.9 m-20 -118.86 76.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.0 mp -34.4 -47.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -53.27 -59.87 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.588 ' HA ' HD12 ' A' ' 43' ' ' ILE . 5.3 mm100 -60.46 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.88 -49.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -52.62 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -54.02 -40.46 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.01 -56.29 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' A' ' 22' ' ' TYR . 28.2 mt -48.84 -58.58 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -53.59 -51.94 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -50.82 -39.96 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 26.1 mm-40 -72.49 -39.33 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -62.33 -35.47 79.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.96 -41.0 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -63.14 -53.72 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.14 -53.24 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.68 82.37 1.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 30.5 m0 -91.55 167.97 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.8 m -87.08 77.43 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -144.38 157.0 44.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.02 153.65 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.93 113.4 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -113.56 79.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.63 80.86 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -45.63 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 t -164.43 134.63 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -54.45 114.34 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -173.62 156.99 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 m -54.02 107.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.71 102.18 1.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -53.23 171.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -89.15 -42.2 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 100.08 -175.78 27.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.3 m -37.92 137.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -99.23 92.7 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -69.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' HG3' HD23 ' A' ' 12' ' ' LEU . 3.8 pt-20 -48.49 -54.03 15.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD13 ' HE2' ' A' ' 15' ' ' LYS . 3.4 mm? -57.6 -45.07 85.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.57 -32.96 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.4 mtp -83.64 -19.76 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 12' ' ' LEU . 18.5 mtmm -78.15 -40.66 37.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 41' ' ' ALA . 42.5 tp -73.44 -35.72 65.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -58.79 -44.22 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -78.66 6.48 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -109.31 -41.0 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.449 HG22 ' OE1' ' A' ' 42' ' ' GLU . 52.5 p -109.67 -46.7 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' TYR . . . 109.51 -33.74 5.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 45.9 m-85 -37.5 146.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -41.66 146.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -51.41 -47.19 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.74 -47.19 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -59.8 -44.62 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 m -58.25 -51.08 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -48.24 -46.36 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -58.99 -40.33 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.38 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' GLY . 19.2 mt -63.04 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.62 -44.84 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.453 HG21 ' NE1' ' A' ' 44' ' ' TRP . 90.5 m -69.92 -26.63 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -95.7 -22.52 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 87.65 68.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.35 34.8 9.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.812 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 t0 -102.24 121.03 41.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -74.57 -43.19 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -68.58 -55.91 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 4.3 mm100 -62.88 -32.82 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -48.61 -54.63 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.4 tt0 -62.16 -55.1 32.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -46.15 -37.14 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' NE1' HG21 ' A' ' 33' ' ' THR . 84.6 t90 -67.17 -60.14 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 22' ' ' TYR . 19.7 mt -43.27 -57.37 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 42.2 m-70 -55.06 -51.38 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -50.9 -43.77 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 20.3 mm-40 -73.6 -32.02 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -71.52 -22.43 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -99.74 -33.66 10.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -72.2 -52.44 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.27 -57.08 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.98 81.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 48' ' ' GLU . 39.1 m0 -94.12 -53.74 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -93.06 -47.97 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -153.39 131.93 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 -47.72 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.54 131.25 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.8 p -166.77 160.72 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.45 70.48 0.33 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.07 9.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.4 m -62.97 138.02 58.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.4 p -55.83 -46.97 77.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -89.78 95.51 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -57.87 128.23 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.28 -144.15 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -148.62 117.56 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -125.23 79.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.78 -175.18 43.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p -51.1 107.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -81.36 48.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -52.56 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -44.64 -58.76 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -42.7 71.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.8 tp -60.24 -46.04 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.3 mmm -56.67 -42.45 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -69.13 -41.58 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 27' ' ' CYS . 25.2 tp -65.9 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 ttp85 -40.69 -49.59 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -80.24 -37.5 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -50.56 -39.77 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 p -110.29 -46.23 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.85 32.62 12.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -105.86 178.97 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -58.45 142.41 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 10.9 m-85 -48.22 -57.46 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.49 -44.42 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -53.5 -54.3 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.65 ' HB3' HD23 ' A' ' 16' ' ' LEU . 23.2 m -50.42 -44.8 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -58.26 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -49.02 -46.9 44.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.25 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 13' ' ' LEU . 25.6 mt -62.14 -27.14 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -83.16 -50.45 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -60.6 -40.85 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' THR . 45.5 m -74.66 -61.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 48.96 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.57 40.45 96.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.1 m-20 -119.83 83.87 2.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.9 mp -35.15 -41.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.91 -60.65 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 43' ' ' ILE . 10.8 mm100 -60.83 -49.23 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.56 -50.06 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -57.1 -57.6 11.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 40' ' ' GLN . 20.8 mt -45.68 -47.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.691 ' CD1' HG21 ' A' ' 33' ' ' THR . 70.6 t90 -54.17 -66.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -43.77 -41.84 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -67.11 -40.68 86.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -61.38 -50.59 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 21.6 mm-40 -62.3 -40.14 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.717 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -62.17 -32.19 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.03 -37.66 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' CE ' ' OE2' ' A' ' 48' ' ' GLU . 17.9 mtmm -85.72 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -47.4 -63.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.03 50.95 0.75 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.717 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 25.3 m0 -65.79 -61.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -99.81 148.28 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -84.21 -44.18 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.72 108.05 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -87.11 171.79 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 146.4 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.77 111.36 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' PRO . 67.0 m -37.61 140.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -156.06 147.05 22.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -86.13 130.39 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 p -103.82 83.12 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.66 -60.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 133.13 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.22 -57.01 3.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.82 -130.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -56.58 150.06 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -84.5 78.6 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -78.08 -42.39 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -45.99 -65.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 HD13 ' NZ ' ' A' ' 15' ' ' LYS . 3.5 mm? -46.04 -40.8 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.9 tp -67.09 -38.52 85.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.3 mmm -69.42 -34.59 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' NZ ' HD13 ' A' ' 12' ' ' LEU . 7.1 mtmp? -73.39 -40.27 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 tp -70.24 -46.57 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -40.31 -48.15 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.32 -32.13 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -57.96 -40.01 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -111.34 -46.47 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.66 -34.2 4.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.674 ' CD2' HD13 ' A' ' 45' ' ' LEU . 72.6 m-85 -41.0 139.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -42.94 150.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 27.3 m-85 -49.58 -53.85 21.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -49.77 -44.78 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.8 -57.48 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.04 -51.54 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -47.35 -45.29 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -60.79 -44.63 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -63.19 -45.24 92.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 13' ' ' LEU . 21.3 mt -59.74 -37.63 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.59 -48.14 50.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.696 HG21 ' NE1' ' A' ' 44' ' ' TRP . 87.3 m -65.04 -24.65 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 69.9 m -101.96 -19.15 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 81.43 74.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.55 33.96 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.734 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 7.4 t0 -101.59 108.92 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HZ3' ' A' ' 15' ' ' LYS . 5.5 mt -62.75 -52.58 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -58.78 -62.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 2.4 mm100 -56.52 -39.75 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -41.47 -52.89 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 9.2 tt0 -62.99 -54.88 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.1 mt -44.94 -40.29 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.696 ' NE1' HG21 ' A' ' 33' ' ' THR . 46.4 t90 -63.99 -61.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 22' ' ' TYR . 53.7 mt -44.43 -60.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.582 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 23.4 m-70 -49.22 -46.55 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -56.99 -49.58 75.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.634 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -57.06 -47.35 81.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.49 -42.95 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -76.7 -63.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.97 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.45 45.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.634 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 17.5 m0 -59.08 -60.81 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -59.09 -53.94 52.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -142.03 149.95 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.37 154.59 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.88 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -90.05 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.21 146.32 16.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.542 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -177.48 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.6 t -86.54 155.42 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m -161.37 147.14 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -119.63 82.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -38.75 -39.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.1 -51.01 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -69.91 -45.86 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -118.55 122.15 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.7 -68.29 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -167.02 144.42 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -116.21 93.94 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -101.09 -61.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LYS . 10.2 tp10 -37.55 -58.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.64 -40.9 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' CA ' ' A' ' 28' ' ' LYS . 26.2 tp -60.4 -40.45 90.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.11 -37.55 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -66.48 -45.75 78.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.834 HD22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 tp -62.88 -36.24 82.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.1 tpt85 -55.44 -48.58 74.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.8 ptt180 -76.8 -38.93 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -57.29 -43.89 83.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 p -101.43 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 110.33 -31.76 7.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -43.71 166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -46.55 173.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' LEU . 2.0 t80 -79.36 -53.36 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -56.19 -44.05 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -55.1 -62.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.698 ' HB3' HD23 ' A' ' 16' ' ' LEU . 90.5 m -40.4 -52.27 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CA ' HD13 ' A' ' 13' ' ' LEU . 20.9 ttpt -46.61 -55.29 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.5 -39.39 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.56 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HG ' HD22 ' A' ' 16' ' ' LEU . 12.5 mt -53.54 -47.2 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.18 -66.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 m -48.65 -42.64 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.93 -37.78 76.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.54 58.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.0 52.25 27.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 103.44 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD22 HD21 ' A' ' 31' ' ' LEU . 3.5 mm? -56.87 -37.74 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -61.6 -57.6 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 43' ' ' ILE . 15.4 mm-40 -62.13 -50.76 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.61 -48.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 7.9 tt0 -62.95 -53.72 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 40' ' ' GLN . 24.9 mt -53.66 -40.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -63.68 -61.1 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.24 -58.4 3.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.585 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.7 m-70 -50.55 -49.0 57.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -54.65 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.89 -33.65 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -68.1 -27.45 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.21 -33.37 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -35.99 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' TRP . 4.0 mm-40 -110.26 105.85 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.1 81.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 23.6 m0 -68.64 121.42 16.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -167.29 145.37 4.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -131.86 174.21 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.97 147.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -98.04 -57.13 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.36 -95.04 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 121.65 8.33 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.5 m -148.07 118.91 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -84.67 135.47 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -67.12 157.35 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -111.56 153.74 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 133.48 5.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -150.09 148.9 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -64.85 177.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.88 154.14 21.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -114.69 151.03 34.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -118.67 103.52 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 -27.97 14.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -73.75 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 38' ' ' LEU . 11.1 mp -52.83 -31.91 41.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 24' ' ' PHE . 5.6 tp -66.12 -24.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mmt -78.73 -26.7 44.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 20.7 mtpp -85.62 -47.73 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.909 HD23 ' HB3' ' A' ' 27' ' ' CYS . 22.3 tp -52.41 -27.6 16.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -68.31 -43.03 78.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 12.2 ptp180 -77.09 -27.7 54.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -74.25 -47.34 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.6 p -94.14 -56.3 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.88 -19.62 25.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' SER . 65.6 m-85 -56.8 152.47 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' TYR . 36.4 m -37.62 156.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -62.33 -47.03 86.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.79 -43.75 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -53.26 -56.81 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.909 ' HB3' HD23 ' A' ' 16' ' ' LEU . 84.5 m -49.18 -44.88 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -53.79 -58.77 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -50.74 -37.93 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 38' ' ' LEU . 19.5 mt -64.84 -32.88 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.31 -51.96 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.692 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -58.84 -41.49 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 33' ' ' THR . 19.4 m -73.97 -63.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.89 58.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.45 45.76 29.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 12.1 m-20 -126.68 83.65 2.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 31' ' ' LEU . 5.6 mt -33.89 -46.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -56.46 -56.99 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' A' ' 43' ' ' ILE . 17.4 mm100 -62.47 -51.15 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.41 -48.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 10.1 tt0 -60.28 -48.13 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 40' ' ' GLN . 81.8 mt -52.75 -44.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CD1' HG21 ' A' ' 33' ' ' THR . 83.5 t90 -61.97 -57.75 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.99 -55.69 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.0 m-70 -53.94 -48.15 70.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -55.0 -45.22 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.73 -44.3 93.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.597 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -55.27 -43.44 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -53.6 -42.04 67.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -78.55 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 54.3 mm-40 -59.0 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.72 91.33 2.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.597 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 3.0 m0 -115.97 98.39 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -103.52 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -131.73 146.81 52.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.74 115.99 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.66 167.42 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -145.56 176.77 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.66 147.81 18.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.69 60.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.374 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.7 p -96.8 158.92 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -133.71 167.16 21.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -153.06 176.48 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -93.62 159.36 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.08 -121.83 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -153.15 145.68 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -59.98 176.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.92 -102.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . 40.8 m -113.0 97.25 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' SER . 81.1 p -37.62 120.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG2' ' CE ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -121.37 -68.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.59 -44.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.6 -42.23 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.19 -45.17 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.434 ' CE ' ' HG2' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.62 -39.46 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.3 mttm -66.0 -46.25 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 27' ' ' CYS . 7.8 tp -71.75 -33.79 68.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -44.09 -46.76 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 3.6 ptm85 -79.05 -48.7 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.552 HG21 HD12 ' A' ' 45' ' ' LEU . 24.9 p -73.97 -41.48 61.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.68 36.65 61.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -112.69 178.81 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 65.7 m -53.79 134.67 42.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 17' ' ' ARG . 14.2 m-85 -46.63 -48.18 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -64.28 -41.21 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -56.83 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.695 ' HB3' HD23 ' A' ' 16' ' ' LEU . 86.1 m -39.29 -58.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -42.27 -54.51 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -46.91 -41.31 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.13 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' HD22 ' A' ' 16' ' ' LEU . 18.6 mt -53.33 -45.92 69.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.83 -69.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.9 m -42.38 -35.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.5 m -83.08 -68.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 143.66 64.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 36.24 51.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -131.9 98.29 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mp -39.79 -48.94 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -63.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -56.43 -20.35 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.04 -35.12 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.533 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 50.7 tt0 -67.43 -35.74 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.06 -37.71 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 78.8 t90 -60.91 -69.13 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 20' ' ' THR . 19.5 mt -42.83 -56.3 3.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.533 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 37.0 m170 -51.68 -40.15 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -68.59 -60.05 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -51.63 -37.27 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.93 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.54 -45.53 37.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -47.6 63.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.74 -63.71 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.51 74.72 0.74 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -99.95 -60.06 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.5 p -71.15 121.69 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.74 38.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.33 169.8 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.93 86.37 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -143.31 148.83 36.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.16 148.92 18.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -6.07 17.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.3 p -126.67 156.9 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -149.36 153.67 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -99.38 147.85 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.815 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -155.0 113.46 3.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.13 99.99 2.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -146.98 154.4 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -108.0 158.35 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.42 -150.4 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -69.68 164.77 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -114.83 85.08 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 1.4 tmtp? -75.17 -56.04 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.82 -59.44 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 HD21 ' A' ' 38' ' ' LEU . 3.7 mm? -51.92 -41.94 62.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.7 tp -59.78 -43.23 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.3 mtp -70.9 -36.16 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.71 -40.08 88.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.85 -29.34 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 36.3 ttp85 -54.98 -49.04 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -79.48 -42.99 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 4.4 mtmp? -53.48 -38.43 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 p -103.53 -47.63 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.05 -36.21 4.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -48.19 157.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.6 m -65.76 179.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 69.8 m-85 -62.23 -50.55 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -45.03 -50.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 13' ' ' LEU . 71.4 m -50.45 -58.49 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -42.45 -38.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.5 tptt -71.63 -71.45 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.23 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 38.0 mm-40 -74.89 -51.89 12.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.544 HG21 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -60.05 -40.79 90.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 33' ' ' THR . 62.5 m -77.71 -55.09 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.72 54.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.09 27.32 62.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 5.9 m-20 -100.66 76.63 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 HD12 ' A' ' 12' ' ' LEU . 5.1 mt -34.22 -46.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.14 -61.38 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' ALA . 5.3 mm100 -61.39 -50.46 72.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.25 -47.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.3 tt0 -62.42 -62.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 29.8 mt -48.6 -36.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CE2' HG21 ' A' ' 33' ' ' THR . 72.7 t90 -59.77 -69.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -43.62 -53.24 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 43.9 m-70 -56.37 -48.63 76.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 43' ' ' ILE . 70.6 mttt -55.65 -46.43 77.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' CB ' ' CH2' ' A' ' 54' ' ' TRP . 35.3 mm-40 -63.23 -44.17 96.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.28 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -78.24 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.79 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.9 52.55 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CH2' ' CB ' ' A' ' 48' ' ' GLU . 18.0 m0 -67.08 117.01 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -40.56 102.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.16 142.8 32.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.37 159.96 15.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.46 -56.09 9.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 54.17 38.95 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.04 147.1 6.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.29 36.43 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 148.95 41.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -164.36 129.0 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 p -82.55 45.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -51.12 133.59 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.61 -66.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -61.98 -46.89 87.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -140.34 108.78 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.82 141.82 3.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -86.51 102.69 14.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -87.67 40.98 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' LEU . 6.7 tttp -67.92 -53.82 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -37.94 -51.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD21 ' A' ' 38' ' ' LEU . 3.4 mm? -60.95 -34.75 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 27' ' ' CYS . 18.3 tp -69.66 -34.33 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.471 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 31.0 mmm -63.48 -37.62 88.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.75 -57.75 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.76 -13.84 27.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 22' ' ' TYR . 2.8 tpm_? -61.02 -55.88 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 3.8 ptm85 -82.64 6.27 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -88.71 -46.11 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.697 HG21 HD12 ' A' ' 45' ' ' LEU . 28.3 p -93.04 -57.64 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.36 6.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HD13 ' A' ' 45' ' ' LEU . 44.4 m-85 -100.85 -175.37 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.7 t -63.62 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 13' ' ' LEU . 12.7 t80 -41.17 -29.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -82.47 -36.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' SER . 3.0 m120 -50.82 -52.69 38.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' LEU . 1.8 m -61.47 -55.31 32.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CA ' HD13 ' A' ' 13' ' ' LEU . 15.9 tttm -44.2 -42.5 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -66.92 -51.45 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -54.13 -42.02 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 36' ' ' GLY . 21.4 mt -60.8 -44.37 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.23 -58.34 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.585 HG21 ' NE1' ' A' ' 44' ' ' TRP . 59.4 m -49.42 -40.12 35.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.6 m -84.56 -28.41 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 95.8 69.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 46.72 32.41 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.804 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 t0 -100.73 122.64 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 12' ' ' LEU . 5.0 mt -74.69 -47.63 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -64.59 -59.12 4.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -57.75 -44.1 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -38.63 -53.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 3.9 tt0 -58.35 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.02 -41.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.585 ' NE1' HG21 ' A' ' 33' ' ' THR . 59.8 t90 -63.93 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 20' ' ' THR . 49.8 mt -47.32 -59.52 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.587 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 15.2 m-70 -52.15 -44.32 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -59.93 -42.44 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 24.1 mm-40 -70.67 -36.59 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.893 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -66.69 -42.05 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.68 -45.03 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -74.11 -61.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.41 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.03 88.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.893 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 20.8 m0 -94.74 104.01 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.78 0.324 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.6 p -60.3 134.4 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.75 143.53 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.53 161.24 37.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.45 43.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.6 p -102.68 42.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.84 -160.02 13.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.48 63.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.304 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -136.79 133.37 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -148.51 143.36 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -163.16 133.04 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.19 -40.3 0.6 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -102.16 166.0 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 43.47 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.0 -154.2 26.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.3 p -71.68 136.68 47.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.922 0.391 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -89.22 75.11 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -73.13 -70.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -44.04 -50.68 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.25 -46.57 89.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 27' ' ' CYS . 5.0 tp -50.01 -46.42 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.483 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.8 mmt -51.86 -35.68 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -74.44 -54.33 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' CYS . 35.9 tp -55.04 -39.18 68.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -41.87 -56.54 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -77.13 -38.22 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -47.18 -41.37 17.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -113.02 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 29.95 7.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' SER . 27.0 m-85 -97.42 159.13 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' TYR . 64.1 m -35.61 149.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.462 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -60.22 -30.62 69.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.2 -31.29 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -61.3 -50.43 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 16' ' ' LEU . 97.5 m -57.27 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -40.26 -33.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLU . 15.3 tptm -75.23 -71.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -37.01 -40.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.9 mt -63.55 -41.88 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' LYS . 50.2 mm-40 -72.13 -57.84 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m -52.19 -37.9 56.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -80.41 -51.53 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.61 64.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.33 30.53 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.8 m-20 -104.94 78.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.579 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.09 -46.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -53.09 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 6.7 mt-30 -60.68 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.73 -39.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.5 tt0 -71.71 -48.18 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.614 HG22 ' HD2' ' A' ' 47' ' ' LYS . 57.6 mt -56.12 -39.84 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -60.24 -61.65 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -46.86 -50.4 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 41.9 m-70 -61.72 -45.17 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.2 mttm -58.98 -42.8 90.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.804 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -67.19 -44.66 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.98 -43.8 97.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -72.74 -61.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.06 -63.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 91.0 2.16 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.804 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 18.4 m0 -99.28 150.35 22.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -78.17 -46.31 20.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.6 119.08 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.41 139.73 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.3 119.03 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.9 p -148.17 166.9 26.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.43 -158.19 33.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 86.54 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -115.2 151.01 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t 66.19 38.63 4.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -109.84 113.54 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.816 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -44.85 127.84 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.35 169.43 45.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.0 m -37.46 129.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.831 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -139.53 119.17 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.62 -72.98 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -124.93 113.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -73.2 75.82 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -68.42 -43.29 77.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' LEU . 1.9 mp0 -54.19 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 3.1 mm? -37.66 -39.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.6 tp -63.17 -49.1 75.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.8 mtt -60.1 -40.6 90.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -70.1 -42.44 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 27' ' ' CYS . 2.1 tt -61.77 -41.01 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.5 ttt180 -46.24 -51.33 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -72.06 -17.63 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -42.33 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.444 HG22 ' CG ' ' A' ' 42' ' ' GLU . 54.2 p -109.57 -45.75 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 113.03 -34.96 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.435 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -47.46 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -66.6 179.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.474 ' CA ' HD11 ' A' ' 13' ' ' LEU . 76.7 m-85 -68.17 -67.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' PHE . 86.1 t -34.34 -36.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' PHE . 3.9 m-20 -61.93 -67.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.862 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.3 m -49.06 -46.37 44.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.5 tptp -49.56 -33.45 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.5 tppt? -76.49 -70.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' HE3' ' A' ' 44' ' ' TRP . . . -38.19 -38.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.6 mt -57.87 -53.42 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -57.69 11.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 m -53.41 -42.17 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.47 -69.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.2 47.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.21 24.86 63.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.5 m-20 -103.7 81.82 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.2 -46.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -55.78 -55.99 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' ILE . 12.3 mm100 -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -33.75 -46.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.5 tt0 -61.38 -49.04 78.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' GLN . 43.0 mt -52.0 -49.29 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -53.96 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD12 HG21 ' A' ' 20' ' ' THR . 53.5 mt -40.2 -60.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 88.2 m-70 -48.75 -52.32 24.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -55.27 -58.48 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 17.3 mm-40 -52.27 -41.53 62.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.704 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -56.64 -45.03 81.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -55.49 -40.08 71.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -83.12 -74.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -37.72 -62.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 45.82 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.704 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 23.6 m0 -63.08 -54.63 34.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.308 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -102.63 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -78.61 125.43 29.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 56' ' ' LYS . . . 74.05 44.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.47 -47.4 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -139.75 151.04 45.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.06 76.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 156.51 63.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -86.08 91.43 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 m -70.37 166.78 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -129.13 120.58 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -123.12 118.74 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 176.35 14.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -135.91 155.82 49.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -124.68 144.31 50.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.65 -116.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -81.47 153.71 26.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.595 ' HB2' HD13 ' A' ' 12' ' ' LEU . 7.8 p -75.68 89.79 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' HE2' ' A' ' 14' ' ' MET . 1.0 OUTLIER -49.45 -59.11 4.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -44.67 -52.22 8.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 9' ' ' SER . 10.4 mp -58.49 -40.65 83.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.78 -36.54 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.466 ' HE2' ' HD3' ' A' ' 10' ' ' LYS . 25.4 mtt -69.85 -36.6 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -78.19 -34.26 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 27' ' ' CYS . 1.9 tm? -71.46 -36.57 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.37 -53.48 56.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -24.02 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -72.43 -65.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.435 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 44.7 p -75.53 -34.22 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.23 -34.12 5.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.736 ' CD1' HD13 ' A' ' 45' ' ' LEU . 60.8 m-85 -45.76 161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.925 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t -64.74 176.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -66.73 -51.24 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.06 -41.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -62.2 -65.03 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 16' ' ' LEU . 55.8 m -44.6 -58.87 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' CYS . 9.8 ttmm -34.48 -47.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -62.54 -49.88 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' CYS . . . -60.74 -53.65 54.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 41' ' ' ALA . 17.4 mt -58.5 -44.57 89.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.46 -57.8 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.4 m -56.19 -39.69 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.28 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 33.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 79.15 -15.4 11.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -62.85 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -39.69 -43.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -55.92 -53.31 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 43' ' ' ILE . 16.1 mm-40 -67.25 -52.02 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.709 ' HB2' HD23 ' A' ' 31' ' ' LEU . . . -35.07 -44.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 5.4 tt0 -59.87 -54.74 42.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -49.28 -52.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -42.25 -61.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.736 HD13 ' CD1' ' A' ' 22' ' ' TYR . 18.0 mt -48.4 -43.3 33.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -64.91 -40.13 94.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HD2' HG22 ' A' ' 43' ' ' ILE . 39.2 mttt -64.46 -47.07 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -43.34 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -60.5 -50.68 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.03 -41.6 59.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -75.99 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.79 -63.12 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.84 43.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.448 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 23.3 m0 -61.69 154.94 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -40.69 129.25 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -145.84 145.55 30.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.48 136.11 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.78 41.09 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -75.46 169.71 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.7 -158.19 32.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -134.92 151.98 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t 58.86 42.18 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.703 0.287 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -50.44 -40.03 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.32 -31.78 58.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.31 -41.82 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.1 mtp -65.43 -38.04 88.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -70.59 -48.62 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.1 tp -64.69 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 tmm_? -67.99 -46.53 71.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -80.63 -32.97 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -66.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.5 p -78.53 -51.56 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.19 -13.74 21.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -68.37 152.27 45.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -50.1 161.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 17' ' ' ARG . 45.8 m-85 -59.13 -51.59 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -49.2 -38.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -65.42 -67.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.635 ' HB3' HD23 ' A' ' 16' ' ' LEU . 64.6 m -41.79 -43.89 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.05 -46.48 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -59.21 -53.89 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.485 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -58.53 -33.44 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 34' ' ' CYS . 32.4 mt -70.48 -35.79 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.27 -42.14 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -64.97 -33.08 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HG ' ' HA ' ' A' ' 31' ' ' LEU . 19.5 p -91.24 -46.51 8.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 109.39 56.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.4 56.8 22.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 4.1 m-20 -132.06 87.97 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 4.9 mt -34.41 -46.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -63.06 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.62 -7.84 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -96.98 -36.94 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.72 -37.23 70.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 mt -69.41 -38.91 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -56.25 -72.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 27' ' ' CYS . 32.9 mt -35.92 -57.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -52.07 -48.57 64.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -58.69 -55.55 33.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.58 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 17.4 mm-40 -50.11 -43.54 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.09 -48.22 80.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -52.65 -43.35 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -75.08 -64.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -53.47 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 -179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' LEU . 21.9 ttpt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.6 pt-20 -37.39 -48.75 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 22.5 mt -65.93 -38.41 88.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.9 tp -61.43 -37.49 83.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 80.2 mtp -79.99 -32.2 39.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -67.35 -40.76 85.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 27' ' ' CYS . 54.1 tp -67.34 -44.03 80.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.3 ttt180 -37.83 -58.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -54.49 -51.13 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 p -107.22 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 118.44 -25.3 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -44.1 159.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -47.83 176.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 13' ' ' LEU . 2.1 t80 -80.81 -45.59 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.7 -42.97 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.83 -58.73 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HB3' HD23 ' A' ' 16' ' ' LEU . 69.0 m -40.38 -49.35 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -54.57 -42.18 70.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -65.64 -39.63 91.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.24 78.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 38' ' ' LEU . 29.3 mt -61.09 -60.34 3.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -48.37 -54.16 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.0 m -61.34 -34.33 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 91.2 m -99.34 43.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 34.55 62.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.6 65.01 0.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.875 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.7 t0 -126.05 125.51 42.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD22 HD21 ' A' ' 31' ' ' LEU . 2.4 mm? -70.82 -40.59 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -63.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.38 -10.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -72.61 -49.71 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 46' ' ' HIS . 6.3 tt0 -59.59 -51.45 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.4 mt -49.61 -51.6 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 59.9 t90 -51.61 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' TRP . 27.3 mt -36.49 -48.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.414 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 10.7 m-70 -59.69 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -55.75 -44.81 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -68.12 -38.48 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.22 -34.48 76.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.88 -40.39 20.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.6 -43.36 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.19 -61.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 14.1 tptm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -44.91 -48.08 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.68 -37.33 86.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.61 -39.18 84.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.474 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 32.7 mmm -67.03 -37.26 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -76.78 -45.85 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 27' ' ' CYS . 47.8 tp -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 3.9 tpt180 -59.84 -44.48 94.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.49 -22.64 35.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -70.54 -40.39 73.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.7 p -105.74 -46.8 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.66 -28.67 8.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -51.44 151.01 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -54.25 145.2 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 52.6 m-85 -43.2 -48.87 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.22 -52.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -54.15 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.9 ' HB3' HD23 ' A' ' 16' ' ' LEU . 71.0 m -47.83 -46.04 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -33.47 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 26.5 tptt -76.63 -71.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -44.92 -33.69 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.615 HD21 HD22 ' A' ' 16' ' ' LEU . 11.5 mt -60.65 -44.17 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -78.79 -51.39 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -49.84 -31.66 12.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -101.38 -40.29 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 109.79 78.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 34.4 39.38 0.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 14.2 t0 -111.7 93.43 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mp -45.24 -59.94 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -52.81 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 11.7 mm-40 -62.25 -8.25 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -93.9 -33.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 13.2 tt0 -70.39 -36.77 74.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.542 HG22 ' HE2' ' A' ' 47' ' ' LYS . 19.3 mt -66.49 -41.41 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 89.2 t90 -57.48 -59.42 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -43.76 -45.25 7.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-70 -63.48 -43.93 95.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 43' ' ' ILE . 30.6 mtmt -59.32 -42.41 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 mm-40 -70.02 -38.65 75.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -38.33 90.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -76.65 -43.79 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.72 -45.67 81.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.58 -59.11 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -43.75 -45.53 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.09 -40.14 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 27' ' ' CYS . 7.0 tp -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.61 -36.91 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.54 ' CB ' HD11 ' A' ' 38' ' ' LEU . 19.4 mttt -70.18 -42.44 72.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -68.09 -41.77 81.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 2.3 tmt_? -54.35 -56.97 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -64.59 -34.43 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -58.17 -53.56 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.428 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 51.7 p -87.24 -57.41 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.2 -21.48 8.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.05 165.85 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -44.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 84.3 m-85 -73.44 -64.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . 90.0 t -34.13 -54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -61.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.9 m -47.47 -45.86 26.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.42 -53.39 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -56.53 -46.05 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -56.57 -42.55 78.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 16' ' ' LEU . 40.4 mt -56.59 -45.87 81.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.28 -65.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.3 m -40.92 -41.13 1.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.0 -72.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.67 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.8 28.77 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -107.03 96.25 6.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 15' ' ' LYS . 3.2 mm? -42.31 -37.18 1.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -72.52 -64.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 37' ' ' ASP . 11.3 mm-40 -53.26 -15.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -87.94 -44.98 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 13.8 tt0 -58.47 -37.42 75.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.79 -50.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 85.9 t90 -51.87 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.836 HD11 ' HA ' ' A' ' 27' ' ' CYS . 16.4 mt -40.31 -52.55 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -56.37 -52.62 63.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -51.95 -54.17 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -56.29 -41.6 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.31 74.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -57.07 -39.33 74.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -74.94 -70.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -53.92 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.6 ptmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.755 0.312 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.1 tt0 -47.93 -46.83 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' GLY . 21.8 mt -68.56 -40.71 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.725 ' HA ' HD11 ' A' ' 31' ' ' LEU . 4.0 tp -59.69 -32.3 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.1 mmt -73.77 -35.62 64.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD21 ' A' ' 38' ' ' LEU . 40.1 mtmt -75.26 -59.67 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -44.38 -38.99 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -54.7 -50.52 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.69 1.82 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -104.45 -42.03 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -106.23 -52.51 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.62 -31.7 5.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD2' HD13 ' A' ' 45' ' ' LEU . 34.6 m-85 -40.35 153.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -59.95 169.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -62.7 -49.97 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' ASN . 20.4 m -46.7 -42.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 70.6 m-80 -67.73 -70.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.421 ' O ' HD12 ' A' ' 31' ' ' LEU . 99.2 m -43.01 -38.27 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' CA ' HD13 ' A' ' 13' ' ' LEU . 5.2 tmtm? -61.37 -37.33 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 3.1 tppp? -73.59 -71.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -39.56 -39.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -57.38 -58.04 10.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.87 -64.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 m -45.28 -40.7 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.8 -23.71 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 98.13 62.66 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' LEU . . . 41.56 48.6 4.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.743 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.8 t70 -117.94 129.87 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.7 mp -76.37 -36.27 58.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -76.47 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -57.31 -12.43 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -80.14 -51.43 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 6.8 tt0 -49.87 -47.15 52.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.83 -46.99 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.698 ' CE3' ' HB2' ' A' ' 30' ' ' ALA . 85.4 t90 -53.56 -58.77 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' TYR . 51.1 mt -48.33 -50.56 29.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 34.5 m-70 -58.9 -39.66 82.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -65.44 -46.93 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -65.83 -37.97 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.2 83.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -79.86 -44.71 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -63.99 -44.99 91.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.88 -53.91 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.3 ptmm? . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.2 tp10 -50.73 -42.79 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.83 -36.75 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.29 -43.48 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.6 mmm -60.43 -37.44 80.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.79 -48.88 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.5 tp -59.78 -17.92 39.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 14.7 ttp85 -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 4.0 ptm85 -85.8 6.49 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -104.67 -46.26 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.748 HG21 HD12 ' A' ' 45' ' ' LEU . 56.9 p -99.35 -37.92 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.2 30.14 55.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 8.4 m-85 -103.92 164.49 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -50.47 141.12 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 13.8 m-85 -42.77 -62.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -47.6 -46.82 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.44 -64.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB3' HD23 ' A' ' 16' ' ' LEU . 60.1 m -45.26 -46.46 12.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -57.15 -45.72 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -61.0 -36.7 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.14 87.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 16' ' ' LEU . 27.1 mt -64.98 -35.26 80.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.86 -55.16 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' NE1' ' A' ' 44' ' ' TRP . 1.3 t -56.07 -41.91 75.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 33' ' ' THR . 90.9 m -74.88 -55.0 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.21 49.78 0.4 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.64 93.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.4 m-20 -122.4 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.1 mm? -34.23 -38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -61.76 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 43' ' ' ILE . 26.4 mm-40 -59.1 -47.14 86.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.94 -42.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 5.8 tt0 -68.26 -51.05 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 40' ' ' GLN . 37.2 mt -53.3 -33.85 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 75.1 t90 -67.43 -70.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 20' ' ' THR . 59.0 mt -37.37 -55.62 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 m-70 -53.9 -43.73 69.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -61.01 -57.22 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -54.43 -43.52 71.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.19 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.07 -39.74 60.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -79.77 -64.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -60.49 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.744 0.306 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -39.94 -60.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 38' ' ' LEU . 4.0 mm? -50.64 -42.74 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.24 -41.28 97.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mmm -62.26 -39.73 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -70.16 -44.55 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.552 HD21 ' HB1' ' A' ' 41' ' ' ALA . 35.0 tp -68.35 -30.91 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.0 tpt180 -63.13 -35.78 81.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.22 -37.54 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -59.95 -41.61 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 p -99.76 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.23 -30.7 8.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -50.71 142.16 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -44.91 156.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 38.8 m-85 -51.41 -60.51 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' PHE . 83.2 t -35.56 -53.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -57.12 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.9 -61.17 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -40.72 -49.62 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -58.43 -42.34 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -52.36 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.734 HD21 HD23 ' A' ' 38' ' ' LEU . 21.1 mt -55.05 -38.55 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.48 -60.83 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.1 m -51.01 -35.79 36.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.2 m -81.6 -48.19 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.2 65.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.28 43.41 5.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.4 m-20 -117.87 76.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD23 HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -53.4 -61.52 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' ALA . 1.3 mm-40 -60.58 -49.09 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -33.69 -45.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG22 ' HD2' ' A' ' 47' ' ' LYS . 47.5 mt -50.05 -37.19 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -68.41 -55.5 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.98 -56.57 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -56.91 -40.65 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 43' ' ' ILE . 52.9 mttt -60.49 -40.68 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.29 -34.65 65.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.63 -34.15 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.12 -43.79 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -62.4 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -86.33 -48.95 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' LEU . 18.4 tttp . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.751 0.31 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' LYS . 3.5 tp10 -36.01 -49.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.83 -39.54 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' LYS . 11.4 tp -60.36 -41.29 93.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.0 mtm -71.29 -40.78 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.01 -40.11 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 27' ' ' CYS . 57.5 tp -61.45 -35.41 77.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLY . 27.5 ttp85 -59.93 -43.95 94.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -76.57 -30.43 57.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.86 -43.64 83.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 -53.85 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 124.45 -29.29 5.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -45.65 171.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.382 . . . . 0.0 110.938 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -78.81 177.61 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -68.56 -53.87 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -43.96 -52.53 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.53 -59.05 5.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.814 ' HB3' HD23 ' A' ' 16' ' ' LEU . 77.1 m -44.65 -57.53 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -44.71 -40.38 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -67.1 -50.25 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.08 -54.34 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.619 ' HG ' HD22 ' A' ' 16' ' ' LEU . 14.3 mt -54.19 -35.34 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.27 -57.94 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.9 m -57.5 -33.59 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.4 m -80.02 -57.71 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 58.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.44 40.24 61.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.433 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.91 109.77 15.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.37 -41.21 93.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -59.56 -61.64 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.528 HE21 HD12 ' A' ' 43' ' ' ILE . 5.8 mm-40 -60.06 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.53 -49.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.1 tt0 -61.84 -61.81 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 HD12 HE21 ' A' ' 40' ' ' GLN . 75.1 mt -42.5 -39.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.14 -65.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -47.96 -52.95 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 12.5 m-70 -58.23 -44.68 88.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.08 -43.11 91.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.22 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -43.33 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -76.14 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -52.48 -62.34 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 tttt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.725 0.297 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -44.34 -55.08 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -57.18 -41.14 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.13 -42.64 95.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.99 -23.97 59.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 38' ' ' LEU . 21.8 mtpp -74.69 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' CB ' ' A' ' 27' ' ' CYS . 21.2 tp -54.35 -23.33 15.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 3.3 ttt180 -63.36 -49.95 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -77.75 7.35 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.79 -50.04 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 p -104.79 -36.1 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -28.9 13.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.2 m-85 -42.23 148.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m -61.09 151.41 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 68.7 m-85 -38.59 -61.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' PHE . 80.8 t -36.92 -54.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -54.15 -66.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.647 ' CB ' HD23 ' A' ' 16' ' ' LEU . 91.2 m -42.54 -44.48 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -53.01 -37.43 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.7 tptt -73.04 -71.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -40.77 -41.63 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HG ' HD22 ' A' ' 16' ' ' LEU . 37.6 mt -63.31 -36.59 84.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.0 mm-40 -73.78 -48.86 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.5 m -65.55 -33.83 76.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 m -81.62 -51.87 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.0 57.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.71 41.62 50.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' LEU . 47.9 m-20 -118.86 76.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.0 mp -34.4 -47.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -53.27 -59.87 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.588 ' HA ' HD12 ' A' ' 43' ' ' ILE . 18.1 mm-40 -60.46 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.88 -49.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -52.62 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -54.02 -40.46 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.01 -56.29 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' A' ' 22' ' ' TYR . 28.2 mt -48.84 -58.58 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -53.59 -51.94 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -50.82 -39.96 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -72.49 -39.33 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.33 -35.47 79.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.96 -41.0 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -63.14 -53.72 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.14 -53.24 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.731 0.301 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' HG3' HD23 ' A' ' 12' ' ' LEU . 3.8 pt-20 -48.49 -54.03 15.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.566 HD13 ' HE2' ' A' ' 15' ' ' LYS . 3.4 mm? -57.6 -45.07 85.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.57 -32.96 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.4 mtp -83.64 -19.76 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 12' ' ' LEU . 18.5 mtmm -78.15 -40.66 37.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 41' ' ' ALA . 42.5 tp -73.44 -35.72 65.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -58.79 -44.22 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -78.66 6.48 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -109.31 -41.0 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.449 HG22 ' OE1' ' A' ' 42' ' ' GLU . 52.5 p -109.67 -46.7 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' TYR . . . 109.51 -33.74 5.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 45.9 m-85 -37.5 146.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -41.66 146.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -51.41 -47.19 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.74 -47.19 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -59.8 -44.62 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 m -58.25 -51.08 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -48.24 -46.36 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -58.99 -40.33 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.38 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' GLY . 19.2 mt -63.04 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.62 -44.84 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.453 HG21 ' NE1' ' A' ' 44' ' ' TRP . 90.5 m -69.92 -26.63 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -95.7 -22.52 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 87.65 68.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.35 34.8 9.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.812 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 t0 -102.24 121.03 41.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -74.57 -43.19 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -68.58 -55.91 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 1.5 mm-40 -62.88 -32.82 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -48.61 -54.63 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.501 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.4 tt0 -62.16 -55.1 32.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -46.15 -37.14 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' NE1' HG21 ' A' ' 33' ' ' THR . 84.6 t90 -67.17 -60.14 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 22' ' ' TYR . 19.7 mt -43.27 -57.37 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 42.2 m-70 -55.06 -51.38 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -50.9 -43.77 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -73.6 -32.02 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.52 -22.43 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -99.74 -33.66 10.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -72.2 -52.44 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.27 -57.08 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.698 0.285 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -44.64 -58.76 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -42.7 71.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.8 tp -60.24 -46.04 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.3 mmm -56.67 -42.45 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -69.13 -41.58 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 27' ' ' CYS . 25.2 tp -65.9 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 ttp85 -40.69 -49.59 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -80.24 -37.5 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -50.56 -39.77 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 p -110.29 -46.23 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.85 32.62 12.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -105.86 178.97 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -58.45 142.41 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 10.9 m-85 -48.22 -57.46 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.49 -44.42 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.5 -54.3 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.65 ' HB3' HD23 ' A' ' 16' ' ' LEU . 23.2 m -50.42 -44.8 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -58.26 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -49.02 -46.9 44.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.25 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 13' ' ' LEU . 25.6 mt -62.14 -27.14 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -83.16 -50.45 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -60.6 -40.85 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' THR . 45.5 m -74.66 -61.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 48.96 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.57 40.45 96.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.1 m-20 -119.83 83.87 2.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.9 mp -35.15 -41.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.91 -60.65 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 43' ' ' ILE . 10.8 mm100 -60.83 -49.23 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.56 -50.06 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -57.1 -57.6 11.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 40' ' ' GLN . 20.8 mt -45.68 -47.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.691 ' CD1' HG21 ' A' ' 33' ' ' THR . 70.6 t90 -54.17 -66.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -43.77 -41.84 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -67.11 -40.68 86.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -61.38 -50.59 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.486 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 21.6 mm-40 -62.3 -40.14 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.17 -32.19 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.03 -37.66 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' CE ' ' OE2' ' A' ' 48' ' ' GLU . 17.9 mtmm -85.72 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -47.4 -63.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -45.99 -65.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.492 HD13 ' NZ ' ' A' ' 15' ' ' LYS . 3.5 mm? -46.04 -40.8 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.9 tp -67.09 -38.52 85.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.3 mmm -69.42 -34.59 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' NZ ' HD13 ' A' ' 12' ' ' LEU . 7.1 mtmp? -73.39 -40.27 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 tp -70.24 -46.57 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -40.31 -48.15 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.32 -32.13 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -57.96 -40.01 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -111.34 -46.47 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.66 -34.2 4.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.674 ' CD2' HD13 ' A' ' 45' ' ' LEU . 72.6 m-85 -41.0 139.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -42.94 150.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 27.3 m-85 -49.58 -53.85 21.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -49.77 -44.78 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.8 -57.48 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.04 -51.54 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -47.35 -45.29 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -60.79 -44.63 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -63.19 -45.24 92.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 13' ' ' LEU . 21.3 mt -59.74 -37.63 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.59 -48.14 50.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.696 HG21 ' NE1' ' A' ' 44' ' ' TRP . 87.3 m -65.04 -24.65 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 69.9 m -101.96 -19.15 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 81.43 74.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.55 33.96 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.734 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 7.4 t0 -101.59 108.92 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HZ3' ' A' ' 15' ' ' LYS . 5.5 mt -62.75 -52.58 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -58.78 -62.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 5.3 mm-40 -56.52 -39.75 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -41.47 -52.89 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 9.2 tt0 -62.99 -54.88 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.1 mt -44.94 -40.29 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.696 ' NE1' HG21 ' A' ' 33' ' ' THR . 46.4 t90 -63.99 -61.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 22' ' ' TYR . 53.7 mt -44.43 -60.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.582 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 23.4 m-70 -49.22 -46.55 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -56.99 -49.58 75.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -47.35 81.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.49 -42.95 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -76.7 -63.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.97 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.746 0.307 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LYS . 10.2 tp10 -37.55 -58.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.64 -40.9 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' CA ' ' A' ' 28' ' ' LYS . 26.2 tp -60.4 -40.45 90.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.11 -37.55 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -66.48 -45.75 78.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.834 HD22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 tp -62.88 -36.24 82.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.1 tpt85 -55.44 -48.58 74.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.8 ptt180 -76.8 -38.93 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -57.29 -43.89 83.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 p -101.43 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 110.33 -31.76 7.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -43.71 166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -46.55 173.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' LEU . 2.0 t80 -79.36 -53.36 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -56.19 -44.05 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -55.1 -62.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.698 ' HB3' HD23 ' A' ' 16' ' ' LEU . 90.5 m -40.4 -52.27 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CA ' HD13 ' A' ' 13' ' ' LEU . 20.9 ttpt -46.61 -55.29 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.5 -39.39 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.56 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HG ' HD22 ' A' ' 16' ' ' LEU . 12.5 mt -53.54 -47.2 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.18 -66.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 m -48.65 -42.64 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.93 -37.78 76.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.54 58.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.0 52.25 27.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 103.44 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD22 HD21 ' A' ' 31' ' ' LEU . 3.5 mm? -56.87 -37.74 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -61.6 -57.6 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 43' ' ' ILE . 15.4 mm-40 -62.13 -50.76 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.61 -48.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 7.9 tt0 -62.95 -53.72 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 40' ' ' GLN . 24.9 mt -53.66 -40.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -63.68 -61.1 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.24 -58.4 3.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.585 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.7 m-70 -50.55 -49.0 57.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -54.65 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.89 -33.65 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.1 -27.45 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.21 -33.37 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -35.99 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -110.26 105.85 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.76 0.314 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -73.75 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 38' ' ' LEU . 11.1 mp -52.83 -31.91 41.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 24' ' ' PHE . 5.6 tp -66.12 -24.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mmt -78.73 -26.7 44.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 20.7 mtpp -85.62 -47.73 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.909 HD23 ' HB3' ' A' ' 27' ' ' CYS . 22.3 tp -52.41 -27.6 16.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -68.31 -43.03 78.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 12.2 ptp180 -77.09 -27.7 54.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -74.25 -47.34 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.6 p -94.14 -56.3 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.88 -19.62 25.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' SER . 65.6 m-85 -56.8 152.47 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' TYR . 36.4 m -37.62 156.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -62.33 -47.03 86.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.79 -43.75 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -53.26 -56.81 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.909 ' HB3' HD23 ' A' ' 16' ' ' LEU . 84.5 m -49.18 -44.88 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -53.79 -58.77 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -50.74 -37.93 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 38' ' ' LEU . 19.5 mt -64.84 -32.88 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.31 -51.96 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.692 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -58.84 -41.49 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 33' ' ' THR . 19.4 m -73.97 -63.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.89 58.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.45 45.76 29.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 12.1 m-20 -126.68 83.65 2.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 31' ' ' LEU . 5.6 mt -33.89 -46.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -56.46 -56.99 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' A' ' 43' ' ' ILE . 17.4 mm100 -62.47 -51.15 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.41 -48.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 10.1 tt0 -60.28 -48.13 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 40' ' ' GLN . 81.8 mt -52.75 -44.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CD1' HG21 ' A' ' 33' ' ' THR . 83.5 t90 -61.97 -57.75 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.99 -55.69 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.0 m-70 -53.94 -48.15 70.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -55.0 -45.22 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.73 -44.3 93.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.27 -43.44 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -53.6 -42.04 67.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -78.55 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -59.0 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG2' ' CE ' ' A' ' 14' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.717 0.294 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.59 -44.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.6 -42.23 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.19 -45.17 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.434 ' CE ' ' HG2' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.62 -39.46 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.3 mttm -66.0 -46.25 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 27' ' ' CYS . 7.8 tp -71.75 -33.79 68.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -44.09 -46.76 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 3.6 ptm85 -79.05 -48.7 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.552 HG21 HD12 ' A' ' 45' ' ' LEU . 24.9 p -73.97 -41.48 61.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.68 36.65 61.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -112.69 178.81 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB2' ' ND2' ' A' ' 26' ' ' ASN . 65.7 m -53.79 134.67 42.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 17' ' ' ARG . 14.2 m-85 -46.63 -48.18 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -64.28 -41.21 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.419 ' ND2' ' HB2' ' A' ' 23' ' ' SER . 2.4 m-80 -56.83 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.695 ' HB3' HD23 ' A' ' 16' ' ' LEU . 86.1 m -39.29 -58.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -42.27 -54.51 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -46.91 -41.31 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.13 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' HD22 ' A' ' 16' ' ' LEU . 18.6 mt -53.33 -45.92 69.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.83 -69.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.9 m -42.38 -35.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.5 m -83.08 -68.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 143.66 64.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 36.24 51.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -131.9 98.29 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mp -39.79 -48.94 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -63.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -56.43 -20.35 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.04 -35.12 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 50.7 tt0 -67.43 -35.74 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.06 -37.71 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 78.8 t90 -60.91 -69.13 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 20' ' ' THR . 19.5 mt -42.83 -56.3 3.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 17.3 m-70 -51.68 -40.15 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -68.59 -60.05 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -51.63 -37.27 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.93 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.54 -45.53 37.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -47.6 63.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.74 -63.71 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 1.4 tmtp? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.734 0.302 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.82 -59.44 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 HD21 ' A' ' 38' ' ' LEU . 3.7 mm? -51.92 -41.94 62.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.7 tp -59.78 -43.23 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.3 mtp -70.9 -36.16 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.71 -40.08 88.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.85 -29.34 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 36.3 ttp85 -54.98 -49.04 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -79.48 -42.99 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 4.4 mtmp? -53.48 -38.43 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 p -103.53 -47.63 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.05 -36.21 4.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -48.19 157.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.6 m -65.76 179.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 69.8 m-85 -62.23 -50.55 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -45.03 -50.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 13' ' ' LEU . 71.4 m -50.45 -58.49 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -42.45 -38.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.5 tptt -71.63 -71.45 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.23 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 38.0 mm-40 -74.89 -51.89 12.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.544 HG21 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -60.05 -40.79 90.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 33' ' ' THR . 62.5 m -77.71 -55.09 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.72 54.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.09 27.32 62.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 5.9 m-20 -100.66 76.63 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 HD12 ' A' ' 12' ' ' LEU . 5.1 mt -34.22 -46.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.14 -61.38 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.8 mm-40 -61.39 -50.46 72.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.25 -47.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.3 tt0 -62.42 -62.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 29.8 mt -48.6 -36.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CE2' HG21 ' A' ' 33' ' ' THR . 72.7 t90 -59.77 -69.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -43.62 -53.24 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 43.9 m-70 -56.37 -48.63 76.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 43' ' ' ILE . 70.6 mttt -55.65 -46.43 77.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -63.23 -44.17 96.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.28 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -78.24 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.79 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' LEU . 6.7 tttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.746 0.308 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -37.94 -51.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD21 ' A' ' 38' ' ' LEU . 3.4 mm? -60.95 -34.75 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 27' ' ' CYS . 18.3 tp -69.66 -34.33 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.471 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 31.0 mmm -63.48 -37.62 88.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.75 -57.75 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.76 -13.84 27.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 22' ' ' TYR . 2.8 tpm_? -61.02 -55.88 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 3.8 ptm85 -82.64 6.27 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -88.71 -46.11 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.697 HG21 HD12 ' A' ' 45' ' ' LEU . 28.3 p -93.04 -57.64 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.36 6.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HD13 ' A' ' 45' ' ' LEU . 44.4 m-85 -100.85 -175.37 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.7 t -63.62 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 13' ' ' LEU . 12.7 t80 -41.17 -29.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -82.47 -36.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' SER . 3.0 m120 -50.82 -52.69 38.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' LEU . 1.8 m -61.47 -55.31 32.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CA ' HD13 ' A' ' 13' ' ' LEU . 15.9 tttm -44.2 -42.5 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -66.92 -51.45 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.507 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -54.13 -42.02 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 36' ' ' GLY . 21.4 mt -60.8 -44.37 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.23 -58.34 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.585 HG21 ' NE1' ' A' ' 44' ' ' TRP . 59.4 m -49.42 -40.12 35.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.6 m -84.56 -28.41 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 95.8 69.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 46.72 32.41 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.804 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 t0 -100.73 122.64 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 12' ' ' LEU . 5.0 mt -74.69 -47.63 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -64.59 -59.12 4.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -57.75 -44.1 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -38.63 -53.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 3.9 tt0 -58.35 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.02 -41.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.585 ' NE1' HG21 ' A' ' 33' ' ' THR . 59.8 t90 -63.93 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 20' ' ' THR . 49.8 mt -47.32 -59.52 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.587 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 15.2 m-70 -52.15 -44.32 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -59.93 -42.44 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -70.67 -36.59 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.05 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.68 -45.03 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -74.11 -61.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.41 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.702 0.287 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -44.04 -50.68 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.25 -46.57 89.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 27' ' ' CYS . 5.0 tp -50.01 -46.42 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.483 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.8 mmt -51.86 -35.68 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -74.44 -54.33 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' CYS . 35.9 tp -55.04 -39.18 68.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -41.87 -56.54 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -77.13 -38.22 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -47.18 -41.37 17.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -113.02 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 29.95 7.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' SER . 27.0 m-85 -97.42 159.13 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' TYR . 64.1 m -35.61 149.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.462 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -60.22 -30.62 69.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.2 -31.29 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -61.3 -50.43 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 16' ' ' LEU . 97.5 m -57.27 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -40.26 -33.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLU . 15.3 tptm -75.23 -71.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -37.01 -40.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.9 mt -63.55 -41.88 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' LYS . 50.2 mm-40 -72.13 -57.84 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m -52.19 -37.9 56.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -80.41 -51.53 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.61 64.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.33 30.53 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.8 m-20 -104.94 78.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.579 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.09 -46.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -53.09 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 6.7 mt-30 -60.68 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.73 -39.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.5 tt0 -71.71 -48.18 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.614 HG22 ' HD2' ' A' ' 47' ' ' LYS . 57.6 mt -56.12 -39.84 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -60.24 -61.65 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -46.86 -50.4 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 41.9 m-70 -61.72 -45.17 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.2 mttm -58.98 -42.8 90.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.66 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.98 -43.8 97.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -72.74 -61.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.06 -63.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.719 0.295 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' LEU . 1.9 mp0 -54.19 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 3.1 mm? -37.66 -39.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.6 tp -63.17 -49.1 75.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.8 mtt -60.1 -40.6 90.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -70.1 -42.44 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 27' ' ' CYS . 2.1 tt -61.77 -41.01 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.5 ttt180 -46.24 -51.33 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -72.06 -17.63 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -42.33 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.444 HG22 ' CG ' ' A' ' 42' ' ' GLU . 54.2 p -109.57 -45.75 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 113.03 -34.96 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.435 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -47.46 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -66.6 179.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.474 ' CA ' HD11 ' A' ' 13' ' ' LEU . 76.7 m-85 -68.17 -67.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' PHE . 86.1 t -34.34 -36.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' PHE . 3.9 m-20 -61.93 -67.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.862 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.3 m -49.06 -46.37 44.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.5 tptp -49.56 -33.45 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.5 tppt? -76.49 -70.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' HE3' ' A' ' 44' ' ' TRP . . . -38.19 -38.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.6 mt -57.87 -53.42 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -57.69 11.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 m -53.41 -42.17 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.47 -69.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.2 47.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.21 24.86 63.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.5 m-20 -103.7 81.82 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.2 -46.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -55.78 -55.99 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' ILE . 12.3 mm100 -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -33.75 -46.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.5 tt0 -61.38 -49.04 78.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' GLN . 43.0 mt -52.0 -49.29 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -53.96 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD12 HG21 ' A' ' 20' ' ' THR . 53.5 mt -40.2 -60.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.434 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 88.2 m-70 -48.75 -52.32 24.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -55.27 -58.48 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 17.3 mm-40 -52.27 -41.53 62.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.64 -45.03 81.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -55.49 -40.08 71.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -83.12 -74.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -37.72 -62.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' HE2' ' A' ' 14' ' ' MET . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -44.67 -52.22 8.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 36' ' ' GLY . 10.4 mp -58.49 -40.65 83.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.78 -36.54 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.466 ' HE2' ' HD3' ' A' ' 10' ' ' LYS . 25.4 mtt -69.85 -36.6 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -78.19 -34.26 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 27' ' ' CYS . 1.9 tm? -71.46 -36.57 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.37 -53.48 56.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -24.02 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -72.43 -65.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.435 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 44.7 p -75.53 -34.22 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.23 -34.12 5.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.736 ' CD1' HD13 ' A' ' 45' ' ' LEU . 60.8 m-85 -45.76 161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.925 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t -64.74 176.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -66.73 -51.24 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.06 -41.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -62.2 -65.03 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 16' ' ' LEU . 55.8 m -44.6 -58.87 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' CYS . 9.8 ttmm -34.48 -47.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -62.54 -49.88 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' CYS . . . -60.74 -53.65 54.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 41' ' ' ALA . 17.4 mt -58.5 -44.57 89.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.46 -57.8 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.4 m -56.19 -39.69 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.28 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 33.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 79.15 -15.4 11.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -62.85 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -39.69 -43.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -55.92 -53.31 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 43' ' ' ILE . 16.1 mm-40 -67.25 -52.02 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.709 ' HB2' HD23 ' A' ' 31' ' ' LEU . . . -35.07 -44.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 5.4 tt0 -59.87 -54.74 42.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -49.28 -52.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -42.25 -61.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.736 HD13 ' CD1' ' A' ' 22' ' ' TYR . 18.0 mt -48.4 -43.3 33.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -64.91 -40.13 94.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HD2' HG22 ' A' ' 43' ' ' ILE . 39.2 mttt -64.46 -47.07 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -43.34 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.5 -50.68 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.03 -41.6 59.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -75.99 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.79 -63.12 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -149.58 160.9 43.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -154.42 165.55 36.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.52 -103.66 2.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -65.53 96.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.861 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -59.09 116.32 3.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.24 58.2 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -164.17 143.8 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.8 p -118.03 90.83 3.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.22 -50.57 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -50.44 -40.03 49.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -76.32 -31.78 58.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tp -67.31 -41.82 84.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.1 mtp -65.43 -38.04 88.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -70.59 -48.62 54.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.1 tp -64.69 -16.52 62.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 3.1 tmm_? -67.99 -46.53 71.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.6 ptt180 -80.63 -32.97 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -66.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.5 p -78.53 -51.56 9.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.19 -13.74 21.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -68.37 152.27 45.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 m -50.1 161.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 17' ' ' ARG . 45.8 m-85 -59.13 -51.59 69.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 m -49.2 -38.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -65.42 -67.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.635 ' HB3' HD23 ' A' ' 16' ' ' LEU . 64.6 m -41.79 -43.89 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -50.05 -46.48 53.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -59.21 -53.89 53.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.485 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -58.53 -33.44 69.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 34' ' ' CYS . 32.4 mt -70.48 -35.79 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.27 -42.14 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.5 m -64.97 -33.08 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.161 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HG ' ' HA ' ' A' ' 31' ' ' LEU . 19.5 p -91.24 -46.51 8.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 109.39 56.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.441 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.4 56.8 22.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 4.1 m-20 -132.06 87.97 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 4.9 mt -34.41 -46.78 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -63.06 -65.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.62 -7.84 5.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ASP . . . -96.98 -36.94 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -71.72 -37.23 70.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 mt -69.41 -38.91 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.58 ' CH2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -56.25 -72.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 27' ' ' CYS . 32.9 mt -35.92 -57.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -52.07 -48.57 64.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -58.69 -55.55 33.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.58 ' HG3' ' CH2' ' A' ' 44' ' ' TRP . 17.4 mm-40 -50.11 -43.54 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -58.09 -48.22 80.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.081 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -52.65 -43.35 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -75.08 -64.44 1.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -53.47 -61.32 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.58 46.21 1.15 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.645 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 14.9 m0 -63.62 -55.84 20.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.0 t -108.76 146.88 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ALA . 7.9 tmtm? -56.75 -59.3 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' LYS . . . -36.33 147.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.57 123.42 27.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 m -66.97 -59.85 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.2 82.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 115.98 4.35 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.236 . . . . 0.0 112.398 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 m -118.74 157.54 27.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 34.1 m -94.55 158.01 15.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.507 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -129.58 132.06 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 110.821 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 t -48.53 103.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.15 143.67 16.26 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -101.13 -52.38 3.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.85 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 m -92.45 109.38 20.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.11 -176.16 19.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.9 p -79.91 143.06 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 p -100.87 96.72 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 13' ' ' LEU . 21.9 ttpt -119.15 -60.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.6 pt-20 -37.39 -48.75 0.96 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 22.5 mt -65.93 -38.41 88.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 24' ' ' PHE . 22.9 tp -61.43 -37.49 83.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 80.2 mtp -79.99 -32.2 39.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -67.35 -40.76 85.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 27' ' ' CYS . 54.1 tp -67.34 -44.03 80.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' GLY . 28.3 ttt180 -37.83 -58.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.15 -32.09 69.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -54.49 -51.13 66.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.5 p -107.22 -50.86 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 118.44 -25.3 8.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -44.1 159.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -47.83 176.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 13' ' ' LEU . 2.1 t80 -80.81 -45.59 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.7 -42.97 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.83 -58.73 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' HB3' HD23 ' A' ' 16' ' ' LEU . 69.0 m -40.38 -49.35 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -54.57 -42.18 70.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -65.64 -39.63 91.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.24 78.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD21 HD22 ' A' ' 38' ' ' LEU . 29.3 mt -61.09 -60.34 3.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -48.37 -54.16 14.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.0 m -61.34 -34.33 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.18 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 91.2 m -99.34 43.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' CYS . . . 34.55 62.49 0.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 39.6 65.01 0.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.506 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.875 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 8.7 t0 -126.05 125.51 42.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD22 HD21 ' A' ' 31' ' ' LEU . 2.4 mm? -70.82 -40.59 72.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -63.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -59.38 -10.69 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.875 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -72.61 -49.71 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 46' ' ' HIS . 6.3 tt0 -59.59 -51.45 69.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.4 mt -49.61 -51.6 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.502 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 59.9 t90 -51.61 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' TRP . 27.3 mt -36.49 -48.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 10.7 m-70 -59.69 -50.43 73.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -55.75 -44.81 77.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -68.12 -38.48 82.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' A' ' 54' ' ' TRP . . . -62.22 -34.48 76.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -82.88 -40.39 20.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -66.6 -43.36 85.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.19 -61.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.75 74.24 0.59 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' A' ' 49' ' ' ALA . 22.0 m0 -97.89 178.17 5.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.9 t -79.92 -53.49 6.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -81.31 136.14 35.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -168.78 160.1 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.31 -57.91 2.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.0 p -75.24 134.18 41.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -123.67 -90.73 0.94 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -40.27 5.55 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.372 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.2 t -105.88 152.46 23.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.2 p -127.1 111.32 13.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 36.3 t -37.0 119.19 0.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 p -119.48 141.28 49.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.29 97.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -73.44 119.28 17.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.927 0.394 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 m -76.17 159.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.2 -44.29 0.23 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.1 p -147.27 116.77 7.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -100.71 39.22 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 14.1 tptm -75.14 -68.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -44.91 -48.08 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.0 mt -63.68 -37.33 86.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.61 -39.18 84.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.474 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 32.7 mmm -67.03 -37.26 83.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -76.78 -45.85 27.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 27' ' ' CYS . 47.8 tp -60.91 -34.52 74.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 3.9 tpt180 -59.84 -44.48 94.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.49 -22.64 35.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -70.54 -40.39 73.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.7 p -105.74 -46.8 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.66 -28.67 8.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -51.44 151.01 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.916 0.389 . . . . 0.0 110.906 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.8 m -54.25 145.2 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 52.6 m-85 -43.2 -48.87 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.22 -52.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.145 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -54.15 -59.79 4.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.9 ' HB3' HD23 ' A' ' 16' ' ' LEU . 71.0 m -47.83 -46.04 30.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.14 -33.47 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 26.5 tptt -76.63 -71.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -44.92 -33.69 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.081 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.615 HD21 HD22 ' A' ' 16' ' ' LEU . 11.5 mt -60.65 -44.17 96.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -78.79 -51.39 9.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.2 m -49.84 -31.66 12.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.156 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -101.38 -40.29 7.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 109.79 78.79 1.04 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 34.4 39.38 0.14 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 41' ' ' ALA . 14.2 t0 -111.7 93.43 4.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mp -45.24 -59.94 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -52.81 -64.34 0.85 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 11.7 mm-40 -62.25 -8.25 5.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 37' ' ' ASP . . . -93.9 -33.84 13.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 13.2 tt0 -70.39 -36.77 74.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.542 HG22 ' HE2' ' A' ' 47' ' ' LYS . 19.3 mt -66.49 -41.41 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 89.2 t90 -57.48 -59.42 5.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.3 mt -43.76 -45.25 7.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 34.8 m-70 -63.48 -43.93 95.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 43' ' ' ILE . 30.6 mtmt -59.32 -42.41 91.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 3.5 mm-40 -70.02 -38.65 75.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.715 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -63.93 -38.33 90.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -76.65 -43.79 36.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -65.72 -45.67 81.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -86.58 -59.11 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.32 81.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.715 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 29.9 m0 -92.57 163.87 13.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.335 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -123.96 105.13 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -125.55 -58.15 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.08 163.49 16.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.15 -49.61 51.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.2 p -108.67 173.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.11 153.48 19.07 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -47.29 114.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -103.48 -40.22 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 45.03 42.11 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -87.37 162.18 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.42 159.05 29.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.0 p -80.59 123.35 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t -68.88 128.47 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.78 -109.36 1.29 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 t -71.0 115.06 9.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.6 p -82.48 41.33 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -38.03 -56.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -43.75 -45.53 7.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -68.09 -40.14 82.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 27' ' ' CYS . 7.0 tp -58.35 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 19.5 mtp -56.61 -36.91 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.54 ' CB ' HD11 ' A' ' 38' ' ' LEU . 19.4 mttt -70.18 -42.44 72.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 27' ' ' CYS . 0.4 OUTLIER -68.09 -41.77 81.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HG3' ' CD2' ' A' ' 24' ' ' PHE . 2.3 tmt_? -54.35 -56.97 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -64.59 -34.43 78.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -58.17 -53.56 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.428 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 51.7 p -87.24 -57.41 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.2 -21.48 8.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.05 165.85 17.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.371 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 m -44.58 168.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD2' ' HG3' ' A' ' 17' ' ' ARG . 84.3 m-85 -73.44 -64.76 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' PHE . 90.0 t -34.13 -54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -61.03 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.9 m -47.47 -45.86 26.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.42 -53.39 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -56.53 -46.05 80.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -56.57 -42.55 78.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 16' ' ' LEU . 40.4 mt -56.59 -45.87 81.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.28 -65.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.3 m -40.92 -41.13 1.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 58.8 m -79.0 -72.46 0.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.67 42.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 69.8 28.77 71.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' CB ' ' HB2' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -107.03 96.25 6.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD11 ' CB ' ' A' ' 15' ' ' LYS . 3.2 mm? -42.31 -37.18 1.45 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -72.52 -64.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' HB2' ' CB ' ' A' ' 37' ' ' ASP . 11.3 mm-40 -53.26 -15.59 1.0 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -87.94 -44.98 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 13.8 tt0 -58.47 -37.42 75.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.79 -50.52 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.413 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 85.9 t90 -51.87 -65.56 0.54 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.836 HD11 ' HA ' ' A' ' 27' ' ' CYS . 16.4 mt -40.31 -52.55 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -56.37 -52.62 63.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -51.95 -54.17 32.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -56.29 -41.6 76.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.28 -50.31 74.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -57.07 -39.33 74.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -74.94 -70.06 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -53.92 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.18 60.03 0.44 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.573 ' CZ2' ' HB3' ' A' ' 48' ' ' GLU . 14.4 m0 -80.96 -61.87 1.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 t -42.22 161.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm 61.81 42.71 10.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.92 81.46 6.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.99 124.25 46.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.3 m -87.7 176.26 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 140.08 -159.78 26.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 137.64 35.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t 68.33 38.89 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.9 p -65.4 124.48 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.427 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -79.36 118.72 21.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.934 0.397 . . . . 0.0 110.81 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -94.15 82.36 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.87 151.82 5.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 p -80.5 166.01 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.2 p -63.0 116.06 4.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.57 -177.23 18.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 p -78.12 159.48 28.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.7 p -87.67 84.64 7.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.6 ptmt -119.52 -30.55 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.1 tt0 -47.93 -46.83 32.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 36' ' ' GLY . 21.8 mt -68.56 -40.71 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.725 ' HA ' HD11 ' A' ' 31' ' ' LEU . 4.0 tp -59.69 -32.3 70.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 13.1 mmt -73.77 -35.62 64.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' HB3' HD21 ' A' ' 38' ' ' LEU . 40.1 mtmt -75.26 -59.67 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.9 tp -44.38 -38.99 4.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -54.7 -50.52 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -73.69 1.82 9.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -104.45 -42.03 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -106.23 -52.51 2.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.62 -31.7 5.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' CD2' HD13 ' A' ' 45' ' ' LEU . 34.6 m-85 -40.35 153.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.844 0.354 . . . . 0.0 110.939 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -59.95 169.8 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -62.7 -49.97 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 26' ' ' ASN . 20.4 m -46.7 -42.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' HG23 ' A' ' 25' ' ' VAL . 70.6 m-80 -67.73 -70.41 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.421 ' O ' HD12 ' A' ' 31' ' ' LEU . 99.2 m -43.01 -38.27 2.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' CA ' HD13 ' A' ' 13' ' ' LEU . 5.2 tmtm? -61.37 -37.33 82.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 3.1 tppp? -73.59 -71.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.698 ' HB2' ' CE3' ' A' ' 44' ' ' TRP . . . -39.56 -39.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD11 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -57.38 -58.04 10.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -57.87 -64.84 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.8 m -45.28 -40.7 7.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 78.9 m -81.8 -23.71 36.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 98.13 62.66 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.508 ' O ' HD13 ' A' ' 12' ' ' LEU . . . 41.56 48.6 4.86 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.743 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 2.8 t70 -117.94 129.87 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.7 mp -76.37 -36.27 58.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -76.47 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -57.31 -12.43 2.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -80.14 -51.43 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 46' ' ' HIS . 6.8 tt0 -49.87 -47.15 52.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.83 -46.99 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.698 ' CE3' ' HB2' ' A' ' 30' ' ' ALA . 85.4 t90 -53.56 -58.77 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' TYR . 51.1 mt -48.33 -50.56 29.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.523 ' CD2' ' HG2' ' A' ' 42' ' ' GLU . 34.5 m-70 -58.9 -39.66 82.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -65.44 -46.93 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.1 OUTLIER -65.83 -37.97 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.692 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -63.56 -36.2 83.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -79.86 -44.71 19.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -63.99 -44.99 91.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -86.88 -53.91 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.63 86.14 1.91 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.692 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 19.6 m0 -93.84 167.34 11.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -70.19 91.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -107.59 140.41 40.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.59 99.2 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 43.23 37.67 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.3 t -51.89 128.95 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -38.12 146.2 0.14 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -38.11 8.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.602 2.201 . . . . 0.0 112.384 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.2 t -70.21 147.7 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.7 p -74.24 127.52 33.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' C ' ' HG3' ' A' ' 42' ' ' GLU . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -51.33 98.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -93.85 87.06 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.23 -151.15 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.508 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 p -103.57 128.08 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.357 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -73.09 -51.07 19.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.96 -106.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.0 p -142.92 140.65 31.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -56.03 -44.08 78.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' GLU . 1.3 ptmm? -43.49 -27.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.2 tp10 -50.73 -42.79 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.5 mt -69.83 -36.75 75.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.29 -43.48 91.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.6 mmm -60.43 -37.44 80.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -72.79 -48.88 34.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 27' ' ' CYS . 30.5 tp -59.78 -17.92 39.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 14.7 ttp85 -66.0 -44.2 85.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 4.0 ptm85 -85.8 6.49 27.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -104.67 -46.26 4.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.748 HG21 HD12 ' A' ' 45' ' ' LEU . 56.9 p -99.35 -37.92 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.2 30.14 55.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 8.4 m-85 -103.92 164.49 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 m -50.47 141.12 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 13.8 m-85 -42.77 -62.09 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -47.6 -46.82 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -56.44 -64.32 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' HB3' HD23 ' A' ' 16' ' ' LEU . 60.1 m -45.26 -46.46 12.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -57.15 -45.72 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -61.0 -36.7 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.14 87.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 16' ' ' LEU . 27.1 mt -64.98 -35.26 80.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -73.86 -55.16 6.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.55 HG21 ' NE1' ' A' ' 44' ' ' TRP . 1.3 t -56.07 -41.91 75.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.465 ' N ' ' CG2' ' A' ' 33' ' ' THR . 90.9 m -74.88 -55.0 6.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.21 49.78 0.4 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.78 46.64 93.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 2.4 m-20 -122.4 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.814 0.34 . . . . 0.0 110.841 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.1 mm? -34.23 -38.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -61.76 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 43' ' ' ILE . 26.4 mm-40 -59.1 -47.14 86.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.94 -42.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 5.8 tt0 -68.26 -51.05 49.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 40' ' ' GLN . 37.2 mt -53.3 -33.85 21.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 75.1 t90 -67.43 -70.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 20' ' ' THR . 59.0 mt -37.37 -55.62 1.03 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 19.1 m-70 -53.9 -43.73 69.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -61.01 -57.22 13.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -54.43 -43.52 71.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.44 -48.19 79.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.147 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -52.07 -39.74 60.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -79.77 -64.65 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -60.49 3.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.34 58.86 0.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 48' ' ' GLU . 13.0 m0 -83.1 44.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.2 t -154.48 134.91 13.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -123.49 88.31 2.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.67 112.18 15.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.29 92.59 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 97.2 p -165.05 171.89 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.63 71.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -46.67 1.12 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.624 2.216 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 p -165.68 141.68 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -73.48 108.46 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -59.4 -50.5 73.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 m 41.9 42.25 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.88 -143.43 4.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.514 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t 64.94 42.18 4.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -98.88 115.53 29.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.82 -83.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -82.04 142.61 32.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -82.35 92.0 6.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.1 ttpt -78.87 -53.16 7.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -39.94 -60.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 38' ' ' LEU . 4.0 mm? -50.64 -42.74 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.24 -41.28 97.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.9 mmm -62.26 -39.73 93.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -70.16 -44.55 68.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.552 HD21 ' HB1' ' A' ' 41' ' ' ALA . 35.0 tp -68.35 -30.91 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' HD3' ' CD1' ' A' ' 24' ' ' PHE . 5.0 tpt180 -63.13 -35.78 81.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.22 -37.54 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -59.95 -41.61 92.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.2 p -99.76 -49.19 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.23 -30.7 8.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -50.71 142.16 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.371 . . . . 0.0 110.944 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -44.91 156.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' ' HD3' ' A' ' 17' ' ' ARG . 38.8 m-85 -51.41 -60.51 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 24' ' ' PHE . 83.2 t -35.56 -53.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -57.12 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 85.2 m -57.9 -61.17 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -40.72 -49.62 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -58.43 -42.34 87.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -52.36 58.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.058 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.734 HD21 HD23 ' A' ' 38' ' ' LEU . 21.1 mt -55.05 -38.55 68.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.48 -60.83 2.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.1 m -51.01 -35.79 36.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.2 m -81.6 -48.19 12.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.2 65.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.28 43.41 5.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.4 m-20 -117.87 76.57 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD23 HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -53.4 -61.52 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' ALA . 1.3 mm-40 -60.58 -49.09 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.552 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -33.69 -45.64 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.04 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG22 ' HD2' ' A' ' 47' ' ' LYS . 47.5 mt -50.05 -37.19 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -68.41 -55.5 11.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.963 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.7 mt -50.98 -56.57 11.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -56.91 -40.65 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD2' HG22 ' A' ' 43' ' ' ILE . 52.9 mttt -60.49 -40.68 92.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -73.29 -34.65 65.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -66.63 -34.15 77.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -89.12 -43.79 10.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -62.4 -46.45 88.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -86.33 -48.95 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.08 69.71 0.97 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.42 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 27.7 m0 -76.26 127.4 32.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.753 0.311 . . . . 0.0 110.925 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 m -38.68 -55.76 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -61.97 102.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.17 145.21 48.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.3 91.18 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.5 p -72.53 -46.43 54.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.18 -160.2 11.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 177.45 5.6 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 63' ' ' SER . 85.3 p -104.01 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' SER . 22.9 t 36.05 48.6 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 m -107.43 141.41 38.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.5 p -41.69 113.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.97 -101.0 2.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.2 t -125.88 134.24 51.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -103.65 153.01 21.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.45 -78.33 0.24 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -80.95 92.97 6.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' HD12 ' A' ' 12' ' ' LEU . 20.5 t -102.61 89.29 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' LEU . 18.4 tttp -99.4 -55.43 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' LYS . 3.5 tp10 -36.01 -49.1 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD12 ' OG ' ' A' ' 9' ' ' SER . 28.4 mt -66.83 -39.54 87.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' LYS . 11.4 tp -60.36 -41.29 93.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.0 mtm -71.29 -40.78 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -64.01 -40.11 95.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 27' ' ' CYS . 57.5 tp -61.45 -35.41 77.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLY . 27.5 ttp85 -59.93 -43.95 94.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -76.57 -30.43 57.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -66.86 -43.64 83.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.8 p -105.67 -53.85 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 124.45 -29.29 5.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -45.65 171.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.901 0.382 . . . . 0.0 110.938 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.5 t -78.81 177.61 8.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -68.56 -53.87 20.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -43.96 -52.53 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -61.53 -59.05 5.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.814 ' HB3' HD23 ' A' ' 16' ' ' LEU . 77.1 m -44.65 -57.53 3.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -44.71 -40.38 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttm -67.1 -50.25 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.957 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.08 -54.34 46.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.619 ' HG ' HD22 ' A' ' 16' ' ' LEU . 14.3 mt -54.19 -35.34 62.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -72.27 -57.94 3.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.9 m -57.5 -33.59 68.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.149 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.4 m -80.02 -57.71 3.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 58.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 53.44 40.24 61.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.433 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.91 109.77 15.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.37 -41.21 93.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -59.56 -61.64 2.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.528 HE21 HD12 ' A' ' 43' ' ' ILE . 5.8 mm-40 -60.06 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.53 -49.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.1 tt0 -61.84 -61.81 2.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 HD12 HE21 ' A' ' 40' ' ' GLN . 75.1 mt -42.5 -39.75 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.062 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -60.14 -65.68 0.64 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 mt -47.96 -52.95 17.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 12.5 m-70 -58.23 -44.68 88.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.03 -51.12 71.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -59.08 -43.11 91.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.581 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -57.22 -47.49 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -43.33 64.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -76.14 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -52.48 -62.34 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.35 48.79 0.9 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.581 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 13.2 m0 -68.27 88.23 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -157.31 162.95 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -101.29 -59.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.82 -54.66 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -47.4 115.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.6 p -71.71 -47.35 54.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.34 83.31 0.71 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.77 3.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.631 2.22 . . . . 0.0 112.395 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -135.46 143.26 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -104.49 -64.68 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -149.38 123.77 9.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -90.39 166.45 13.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.14 66.3 1.38 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -69.82 89.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.877 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m -64.74 158.28 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.16 -111.75 3.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 t -44.27 122.54 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.831 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.5 m -121.92 91.52 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -108.86 -42.32 4.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -44.34 -55.08 5.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' CD1' ' A' ' 38' ' ' LEU . 2.8 mm? -57.18 -41.14 78.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -60.13 -42.64 95.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mtm -73.99 -23.97 59.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.726 ' HB3' HD21 ' A' ' 38' ' ' LEU . 21.8 mtpp -74.69 -57.98 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.647 HD23 ' CB ' ' A' ' 27' ' ' CYS . 21.2 tp -54.35 -23.33 15.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD2' ' CZ ' ' A' ' 24' ' ' PHE . 3.3 ttt180 -63.36 -49.95 71.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -77.75 7.35 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -103.79 -50.04 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 p -104.79 -36.1 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.138 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.6 -28.9 13.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.498 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.2 m-85 -42.23 148.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.918 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m -61.09 151.41 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.442 ' CZ ' ' HD2' ' A' ' 17' ' ' ARG . 68.7 m-85 -38.59 -61.02 0.75 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 24' ' ' PHE . 80.8 t -36.92 -54.18 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -54.15 -66.09 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.647 ' CB ' HD23 ' A' ' 16' ' ' LEU . 91.2 m -42.54 -44.48 4.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -53.01 -37.43 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.7 tptt -73.04 -71.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -40.77 -41.63 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HG ' HD22 ' A' ' 16' ' ' LEU . 37.6 mt -63.31 -36.59 84.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 29' ' ' LYS . 6.0 mm-40 -73.78 -48.86 28.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.5 m -65.55 -33.83 76.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.0 m -81.62 -51.87 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.0 57.66 0.36 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 51.71 41.62 50.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' LEU . 47.9 m-20 -118.86 76.93 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.726 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.0 mp -34.4 -47.21 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -53.27 -59.87 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.588 ' HA ' HD12 ' A' ' 43' ' ' ILE . 18.1 mm-40 -60.46 -48.74 80.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.88 -49.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -52.62 64.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.588 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -54.02 -40.46 45.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.01 -56.29 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.498 HD13 ' CD2' ' A' ' 22' ' ' TYR . 28.2 mt -48.84 -58.58 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -53.59 -51.94 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -50.82 -39.96 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 26.1 mm-40 -72.49 -39.33 67.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -62.33 -35.47 79.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -86.96 -41.0 14.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -63.14 -53.72 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -81.14 -53.24 6.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.68 82.37 1.58 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 30.5 m0 -91.55 167.97 11.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.8 m -87.08 77.43 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -144.38 157.0 44.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.02 153.65 29.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.93 113.4 25.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.8 t -113.56 79.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.63 80.86 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -45.63 1.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.4 t -164.43 134.63 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -54.45 114.34 1.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.443 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -173.62 156.99 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.893 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 m -54.02 107.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.71 102.18 1.63 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -53.23 171.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -89.15 -42.2 11.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 100.08 -175.78 27.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.3 m -37.92 137.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.83 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -99.23 92.7 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 -69.03 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' HG3' HD23 ' A' ' 12' ' ' LEU . 3.8 pt-20 -48.49 -54.03 15.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.566 HD13 ' HE2' ' A' ' 15' ' ' LYS . 3.4 mm? -57.6 -45.07 85.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -53.57 -32.96 53.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 21.4 mtp -83.64 -19.76 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 12' ' ' LEU . 18.5 mtmm -78.15 -40.66 37.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 41' ' ' ALA . 42.5 tp -73.44 -35.72 65.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -58.79 -44.22 90.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -78.66 6.48 8.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -109.31 -41.0 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.449 HG22 ' OE1' ' A' ' 42' ' ' GLU . 52.5 p -109.67 -46.7 3.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' TYR . . . 109.51 -33.74 5.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.496 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 21' ' ' GLY . 45.9 m-85 -37.5 146.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.956 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.3 t -41.66 146.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -51.41 -47.19 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.5 t -56.74 -47.19 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -59.8 -44.62 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.5 m -58.25 -51.08 71.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -48.24 -46.36 35.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -58.99 -40.33 84.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.38 81.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 35' ' ' GLY . 19.2 mt -63.04 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -69.62 -44.84 69.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.453 HG21 ' NE1' ' A' ' 44' ' ' TRP . 90.5 m -69.92 -26.63 64.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 73.5 m -95.7 -22.52 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 87.65 68.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.35 34.8 9.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.812 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.7 t0 -102.24 121.03 41.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 HD21 ' CD1' ' A' ' 12' ' ' LEU . 3.9 mm? -74.57 -43.19 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -68.58 -55.91 10.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 1.5 mm-40 -62.88 -32.82 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.812 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -48.61 -54.63 13.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.075 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.501 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.4 tt0 -62.16 -55.1 32.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -46.15 -37.14 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' NE1' HG21 ' A' ' 33' ' ' THR . 84.6 t90 -67.17 -60.14 2.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 HD13 ' CD1' ' A' ' 22' ' ' TYR . 19.7 mt -43.27 -57.37 3.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 42.2 m-70 -55.06 -51.38 66.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mttp -50.9 -43.77 59.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.571 ' HB3' ' CZ2' ' A' ' 54' ' ' TRP . 20.3 mm-40 -73.6 -32.02 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -71.52 -22.43 61.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -99.74 -33.66 10.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -72.2 -52.44 16.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.27 -57.08 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.98 81.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.571 ' CZ2' ' HB3' ' A' ' 48' ' ' GLU . 39.1 m0 -94.12 -53.74 3.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.801 0.334 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -93.06 -47.97 6.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.822 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -153.39 131.93 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.05 -47.72 3.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.54 131.25 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.8 p -166.77 160.72 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 39.45 70.48 0.33 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -37.07 9.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.708 2.272 . . . . 0.0 112.322 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.4 m -62.97 138.02 58.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 94.4 p -55.83 -46.97 77.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.458 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -89.78 95.51 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -57.87 128.23 36.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.28 -144.15 14.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -148.62 117.56 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -125.23 79.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.78 -175.18 43.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.9 p -51.1 107.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 p -81.36 48.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.43 -52.56 64.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -44.64 -58.76 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.71 -42.7 71.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.8 tp -60.24 -46.04 91.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 59.3 mmm -56.67 -42.45 79.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -69.13 -41.58 77.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.65 HD23 ' HB3' ' A' ' 27' ' ' CYS . 25.2 tp -65.9 -36.29 82.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.582 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 35.3 ttp85 -40.69 -49.59 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -80.24 -37.5 32.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -50.56 -39.77 50.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.1 p -110.29 -46.23 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.85 32.62 12.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.442 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -105.86 178.97 4.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.6 m -58.45 142.41 48.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 10.9 m-85 -48.22 -57.46 5.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.49 -44.42 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -53.5 -54.3 39.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.65 ' HB3' HD23 ' A' ' 16' ' ' LEU . 23.2 m -50.42 -44.8 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.21 -58.26 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -49.02 -46.9 44.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.03 -42.25 98.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 13' ' ' LEU . 25.6 mt -62.14 -27.14 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -83.16 -50.45 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.691 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -60.6 -40.85 93.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.165 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 33' ' ' THR . 45.5 m -74.66 -61.48 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 48.96 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.489 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.57 40.45 96.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.1 m-20 -119.83 83.87 2.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.782 0.325 . . . . 0.0 110.834 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' ASP . 3.9 mp -35.15 -41.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -58.91 -60.65 3.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 43' ' ' ILE . 10.8 mm100 -60.83 -49.23 78.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.56 -50.06 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.574 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 0.5 OUTLIER -57.1 -57.6 11.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.732 HD12 ' HA ' ' A' ' 40' ' ' GLN . 20.8 mt -45.68 -47.09 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.691 ' CD1' HG21 ' A' ' 33' ' ' THR . 70.6 t90 -54.17 -66.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -43.77 -41.84 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -67.11 -40.68 86.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -61.38 -50.59 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.486 ' OE2' ' CE ' ' A' ' 51' ' ' LYS . 21.6 mm-40 -62.3 -40.14 95.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.717 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -62.17 -32.19 72.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -72.03 -37.66 69.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' CE ' ' OE2' ' A' ' 48' ' ' GLU . 17.9 mtmm -85.72 -64.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -47.4 -63.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.03 50.95 0.75 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.717 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 25.3 m0 -65.79 -61.68 1.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 m -99.81 148.28 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -84.21 -44.18 14.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.26 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.72 108.05 14.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -87.11 171.79 10.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 146.4 5.78 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 62' ' ' SER . 53.8 Cg_endo -69.77 111.36 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 61' ' ' PRO . 67.0 m -37.61 140.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -156.06 147.05 22.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 m -86.13 130.39 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.7 p -103.82 83.12 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.66 -60.74 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 133.13 31.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.929 0.395 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.22 -57.01 3.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.82 -130.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 m -56.58 150.06 16.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 t -84.5 78.6 9.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -78.08 -42.39 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -45.99 -65.56 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 HD13 ' NZ ' ' A' ' 15' ' ' LYS . 3.5 mm? -46.04 -40.8 11.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD11 ' A' ' 31' ' ' LEU . 3.9 tp -67.09 -38.52 85.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 37.3 mmm -69.42 -34.59 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' NZ ' HD13 ' A' ' 12' ' ' LEU . 7.1 mtmp? -73.39 -40.27 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 47.7 tp -70.24 -46.57 64.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 24' ' ' PHE . 0.8 OUTLIER -40.31 -48.15 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -79.32 -32.13 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -57.96 -40.01 79.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.0 p -111.34 -46.47 3.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.66 -34.2 4.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.674 ' CD2' HD13 ' A' ' 45' ' ' LEU . 72.6 m-85 -41.0 139.91 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.886 0.374 . . . . 0.0 110.924 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -42.94 150.73 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CD1' ' HG3' ' A' ' 17' ' ' ARG . 27.3 m-85 -49.58 -53.85 21.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -49.77 -44.78 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -59.8 -57.48 12.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.04 -51.54 23.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -47.35 -45.29 24.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -60.79 -44.63 96.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -63.19 -45.24 92.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 13' ' ' LEU . 21.3 mt -59.74 -37.63 79.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -71.59 -48.14 50.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.696 HG21 ' NE1' ' A' ' 44' ' ' TRP . 87.3 m -65.04 -24.65 67.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 69.9 m -101.96 -19.15 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 81.43 74.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.508 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 43.55 33.96 2.43 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.734 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 7.4 t0 -101.59 108.92 20.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' HZ3' ' A' ' 15' ' ' LYS . 5.5 mt -62.75 -52.58 62.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -58.78 -62.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' HB2' ' CG ' ' A' ' 37' ' ' ASP . 5.3 mm-40 -56.52 -39.75 73.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -41.47 -52.89 3.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 9.2 tt0 -62.99 -54.88 31.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.1 mt -44.94 -40.29 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.696 ' NE1' HG21 ' A' ' 33' ' ' THR . 46.4 t90 -63.99 -61.92 1.96 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 22' ' ' TYR . 53.7 mt -44.43 -60.36 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.582 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 23.4 m-70 -49.22 -46.55 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.6 mttm -56.99 -49.58 75.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -62.95 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.634 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -57.06 -47.35 81.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -52.49 -42.95 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -76.7 -63.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -53.97 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.45 45.29 1.25 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.634 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 17.5 m0 -59.08 -60.81 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.4 t -59.09 -53.94 52.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -142.03 149.95 40.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -109.37 154.59 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -159.8 171.88 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -90.05 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.21 146.32 16.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.542 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -177.48 1.91 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.6 t -86.54 155.42 20.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.4 m -161.37 147.14 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -119.63 82.92 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.38 . . . . 0.0 110.852 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.6 p -38.75 -39.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.1 -51.01 0.85 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -69.91 -45.86 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.9 t -118.55 122.15 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.7 -68.29 0.49 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.3 t -167.02 144.42 4.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -116.21 93.94 4.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -101.09 -61.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LYS . 10.2 tp10 -37.55 -58.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 mp -58.64 -40.9 84.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD13 ' CA ' ' A' ' 28' ' ' LYS . 26.2 tp -60.4 -40.45 90.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 34.9 mtt -64.11 -37.55 87.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -66.48 -45.75 78.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.834 HD22 ' HG ' ' A' ' 31' ' ' LEU . 25.4 tp -62.88 -36.24 82.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.1 tpt85 -55.44 -48.58 74.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' LYS . 13.8 ptt180 -76.8 -38.93 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -57.29 -43.89 83.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.7 p -101.43 -50.61 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 110.33 -31.76 7.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.506 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -43.71 166.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.3 m -46.55 173.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.422 ' O ' HD11 ' A' ' 13' ' ' LEU . 2.0 t80 -79.36 -53.36 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.826 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.5 t -56.19 -44.05 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -55.1 -62.78 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.698 ' HB3' HD23 ' A' ' 16' ' ' LEU . 90.5 m -40.4 -52.27 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' CA ' HD13 ' A' ' 13' ' ' LEU . 20.9 ttpt -46.61 -55.29 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -50.5 -39.39 48.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -54.56 27.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.834 ' HG ' HD22 ' A' ' 16' ' ' LEU . 12.5 mt -53.54 -47.2 70.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.18 -66.44 0.53 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.6 m -48.65 -42.64 35.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -69.93 -37.78 76.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.54 58.26 0.73 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 50.0 52.25 27.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.44 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.5 103.44 6.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.853 0.358 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD22 HD21 ' A' ' 31' ' ' LEU . 3.5 mm? -56.87 -37.74 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -61.6 -57.6 11.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 43' ' ' ILE . 15.4 mm-40 -62.13 -50.76 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.61 -48.73 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 7.9 tt0 -62.95 -53.72 49.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 40' ' ' GLN . 24.9 mt -53.66 -40.31 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.129 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -63.68 -61.1 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.5 mt -46.24 -58.4 3.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.585 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.7 m-70 -50.55 -49.0 57.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -54.65 -65.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -49.89 -33.65 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -68.1 -27.45 66.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.21 -33.37 63.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 -35.99 16.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' TRP . 4.0 mm-40 -110.26 105.85 15.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.1 81.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.577 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 23.6 m0 -68.64 121.42 16.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.3 t -167.29 145.37 4.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -131.86 174.21 10.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.38 -63.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.97 147.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -98.04 -57.13 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 113.36 -95.04 0.74 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 121.65 8.33 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.301 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.5 m -148.07 118.91 7.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -84.67 135.47 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -67.12 157.35 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -111.56 153.74 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.9 133.48 5.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.546 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -150.09 148.9 29.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -64.85 177.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.88 154.14 21.18 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -114.69 151.03 34.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -118.67 103.52 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 -27.97 14.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -73.75 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 38' ' ' LEU . 11.1 mp -52.83 -31.91 41.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.562 HD21 ' CE2' ' A' ' 24' ' ' PHE . 5.6 tp -66.12 -24.36 66.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.0 mmt -78.73 -26.7 44.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 18' ' ' ARG . 20.7 mtpp -85.62 -47.73 9.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.909 HD23 ' HB3' ' A' ' 27' ' ' CYS . 22.3 tp -52.41 -27.6 16.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -68.31 -43.03 78.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 12.2 ptp180 -77.09 -27.7 54.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -74.25 -47.34 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.6 p -94.14 -56.3 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.88 -19.62 25.3 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 23' ' ' SER . 65.6 m-85 -56.8 152.47 12.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.889 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 22' ' ' TYR . 36.4 m -37.62 156.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CE2' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -62.33 -47.03 86.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.79 -43.75 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -53.26 -56.81 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.909 ' HB3' HD23 ' A' ' 16' ' ' LEU . 84.5 m -49.18 -44.88 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -53.79 -58.77 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -50.74 -37.93 44.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.14 -43.06 83.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD21 HD23 ' A' ' 38' ' ' LEU . 19.5 mt -64.84 -32.88 74.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.31 -51.96 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.692 HG21 ' CD1' ' A' ' 44' ' ' TRP . 1.3 t -58.84 -41.49 87.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 33' ' ' THR . 19.4 m -73.97 -63.8 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.89 58.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 48.45 45.76 29.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 12.1 m-20 -126.68 83.65 2.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD23 HD21 ' A' ' 31' ' ' LEU . 5.6 mt -33.89 -46.24 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -56.46 -56.99 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' A' ' 43' ' ' ILE . 17.4 mm100 -62.47 -51.15 68.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.41 -48.18 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 10.1 tt0 -60.28 -48.13 83.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 40' ' ' GLN . 81.8 mt -52.75 -44.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CD1' HG21 ' A' ' 33' ' ' THR . 83.5 t90 -61.97 -57.75 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.99 -55.69 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 24.0 m-70 -53.94 -48.15 70.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -55.0 -45.22 75.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -63.73 -44.3 93.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.597 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -55.27 -43.44 74.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -53.6 -42.04 67.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -78.55 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' HB2' ' NE1' ' A' ' 54' ' ' TRP . 54.3 mm-40 -59.0 -64.1 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 107.72 91.33 2.19 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.597 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 3.0 m0 -115.97 98.39 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -103.52 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -131.73 146.81 52.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.74 115.99 8.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.66 167.42 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -145.56 176.77 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.66 147.81 18.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.69 60.8 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.374 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.7 p -96.8 158.92 15.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 t -133.71 167.16 21.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.805 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 t -153.06 176.48 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -93.62 159.36 15.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.08 -121.83 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -153.15 145.68 24.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -59.98 176.77 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.92 -102.62 0.53 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.536 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . 40.8 m -113.0 97.25 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' SER . 81.1 p -37.62 120.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG2' ' CE ' ' A' ' 14' ' ' MET . 0.6 OUTLIER -121.37 -68.46 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.59 -44.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -68.6 -42.23 78.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.19 -45.17 83.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.434 ' CE ' ' HG2' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -62.62 -39.46 93.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.53 ' HB3' HD21 ' A' ' 38' ' ' LEU . 17.3 mttm -66.0 -46.25 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD23 ' HB3' ' A' ' 27' ' ' CYS . 7.8 tp -71.75 -33.79 68.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -44.09 -46.76 8.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 3.6 ptm85 -79.05 -48.7 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -46.36 -61.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.552 HG21 HD12 ' A' ' 45' ' ' LEU . 24.9 p -73.97 -41.48 61.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.68 36.65 61.93 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -112.69 178.81 4.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.88 0.371 . . . . 0.0 110.922 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HB2' ' ND2' ' A' ' 26' ' ' ASN . 65.7 m -53.79 134.67 42.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 17' ' ' ARG . 14.2 m-85 -46.63 -48.18 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -64.28 -41.21 91.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.419 ' ND2' ' HB2' ' A' ' 23' ' ' SER . 2.4 m-80 -56.83 -62.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.695 ' HB3' HD23 ' A' ' 16' ' ' LEU . 86.1 m -39.29 -58.73 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -42.27 -54.51 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -46.91 -41.31 15.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.03 -51.13 34.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' HD22 ' A' ' 16' ' ' LEU . 18.6 mt -53.33 -45.92 69.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.83 -69.03 0.35 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.9 m -42.38 -35.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 71.5 m -83.08 -68.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' GLY . . . 143.66 64.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 36.24 51.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -131.9 98.29 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 15' ' ' LYS . 3.8 mp -39.79 -48.94 2.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -63.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -56.43 -20.35 19.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.04 -35.12 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.577 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 50.7 tt0 -67.43 -35.74 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.06 -37.71 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.512 ' CZ2' ' HG2' ' A' ' 48' ' ' GLU . 78.8 t90 -60.91 -69.13 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 20' ' ' THR . 19.5 mt -42.83 -56.3 3.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 42' ' ' GLU . 17.3 m-70 -51.68 -40.15 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -68.59 -60.05 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HG2' ' CZ2' ' A' ' 44' ' ' TRP . 0.2 OUTLIER -51.63 -37.27 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.2 -29.93 71.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -75.54 -45.53 37.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -47.6 63.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -77.74 -63.71 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.51 74.72 0.74 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 19.2 m0 -99.95 -60.06 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.5 p -71.15 121.69 18.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -85.74 38.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.33 169.8 8.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.116 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.93 86.37 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.4 t -143.31 148.83 36.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.16 148.92 18.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -6.07 17.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.3 p -126.67 156.9 40.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t -149.36 153.67 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -99.38 147.85 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.387 . . . . 0.0 110.815 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -155.0 113.46 3.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.13 99.99 2.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -146.98 154.4 41.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -108.0 158.35 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.42 -150.4 18.55 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.8 p -69.68 164.77 22.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -114.83 85.08 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 1.4 tmtp? -75.17 -56.04 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.82 -59.44 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD12 HD21 ' A' ' 38' ' ' LEU . 3.7 mm? -51.92 -41.94 62.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.7 tp -59.78 -43.23 94.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 39.3 mtp -70.9 -36.16 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.9 mtpp -66.71 -40.08 88.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.8 tp -74.85 -29.34 61.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' HD3' ' CE1' ' A' ' 24' ' ' PHE . 36.3 ttp85 -54.98 -49.04 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -79.48 -42.99 24.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' NZ ' HD13 ' A' ' 38' ' ' LEU . 4.4 mtmp? -53.48 -38.43 63.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 p -103.53 -47.63 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 115.05 -36.21 4.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -48.19 157.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.6 m -65.76 179.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' CE1' ' HD3' ' A' ' 17' ' ' ARG . 69.8 m-85 -62.23 -50.55 71.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -45.03 -50.37 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -56.37 -61.41 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' A' ' 13' ' ' LEU . 71.4 m -50.45 -58.49 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -42.45 -38.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 32' ' ' GLU . 32.5 tptt -71.63 -71.45 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.947 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -39.92 -42.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.23 -36.55 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 29' ' ' LYS . 38.0 mm-40 -74.89 -51.89 12.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.544 HG21 ' CE2' ' A' ' 44' ' ' TRP . 1.3 t -60.05 -40.79 90.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.167 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.452 ' N ' ' CG2' ' A' ' 33' ' ' THR . 62.5 m -77.71 -55.09 5.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.72 54.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.09 27.32 62.33 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.464 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 5.9 m-20 -100.66 76.63 1.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.845 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.681 HD21 HD12 ' A' ' 12' ' ' LEU . 5.1 mt -34.22 -46.65 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -53.14 -61.38 2.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 41' ' ' ALA . 4.8 mm-40 -61.39 -50.46 72.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -34.25 -47.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 6.3 tt0 -62.42 -62.29 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 29.8 mt -48.6 -36.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' CE2' HG21 ' A' ' 33' ' ' THR . 72.7 t90 -59.77 -69.29 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.5 mt -43.62 -53.24 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.581 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 43.9 m-70 -56.37 -48.63 76.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HE3' ' CG2' ' A' ' 43' ' ' ILE . 70.6 mttt -55.65 -46.43 77.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' CB ' ' CH2' ' A' ' 54' ' ' TRP . 35.3 mm-40 -63.23 -44.17 96.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.28 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -53.69 -41.41 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -78.24 -65.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.79 -61.69 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.9 52.55 0.79 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.495 ' CH2' ' CB ' ' A' ' 48' ' ' GLU . 18.0 m0 -67.08 117.01 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.759 0.314 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 79.6 p -40.56 102.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.16 142.8 32.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.37 159.96 15.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.46 -56.09 9.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 54.17 38.95 30.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.04 147.1 6.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.29 36.43 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.634 2.223 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -61.81 148.95 41.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.0 p -164.36 129.0 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 p -82.55 45.11 0.94 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 m -51.12 133.59 27.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.61 -66.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 m -61.98 -46.89 87.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -140.34 108.78 5.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.82 141.82 3.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.4 m -86.51 102.69 14.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -87.67 40.98 0.96 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 13' ' ' LEU . 6.7 tttp -67.92 -53.82 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -37.94 -51.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 HD21 ' A' ' 38' ' ' LEU . 3.4 mm? -60.95 -34.75 75.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 27' ' ' CYS . 18.3 tp -69.66 -34.33 73.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.471 ' CG ' ' HE3' ' A' ' 10' ' ' LYS . 31.0 mmm -63.48 -37.62 88.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -72.75 -57.75 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.76 -13.84 27.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' ' O ' ' A' ' 22' ' ' TYR . 2.8 tpm_? -61.02 -55.88 27.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 18' ' ' ARG . 3.8 ptm85 -82.64 6.27 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -88.71 -46.11 9.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.697 HG21 HD12 ' A' ' 45' ' ' LEU . 28.3 p -93.04 -57.64 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.0 24.36 6.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' HD2' HD13 ' A' ' 45' ' ' LEU . 44.4 m-85 -100.85 -175.37 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.922 0.391 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' ASN . 1.7 t -63.62 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 13' ' ' LEU . 12.7 t80 -41.17 -29.2 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -82.47 -36.09 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' SER . 3.0 m120 -50.82 -52.69 38.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.608 ' HB3' HD12 ' A' ' 13' ' ' LEU . 1.8 m -61.47 -55.31 32.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CA ' HD13 ' A' ' 13' ' ' LEU . 15.9 tttm -44.2 -42.5 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -66.92 -51.45 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.507 ' HB2' ' HG ' ' A' ' 45' ' ' LEU . . . -54.13 -42.02 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 36' ' ' GLY . 21.4 mt -60.8 -44.37 96.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.23 -58.34 5.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.585 HG21 ' NE1' ' A' ' 44' ' ' TRP . 59.4 m -49.42 -40.12 35.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 98.6 m -84.56 -28.41 26.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 95.8 69.97 1.05 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.496 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . 46.72 32.41 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.804 ' O ' ' HB2' ' A' ' 41' ' ' ALA . 18.0 t0 -100.73 122.64 43.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 12' ' ' LEU . 5.0 mt -74.69 -47.63 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -64.59 -59.12 4.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -57.75 -44.1 85.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.804 ' HB2' ' O ' ' A' ' 37' ' ' ASP . . . -38.63 -53.64 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.587 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 3.9 tt0 -58.35 -55.19 38.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -45.02 -41.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.585 ' NE1' HG21 ' A' ' 33' ' ' THR . 59.8 t90 -63.93 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 HG21 ' A' ' 20' ' ' THR . 49.8 mt -47.32 -59.52 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.587 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 15.2 m-70 -52.15 -44.32 64.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -59.93 -42.44 93.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 24.1 mm-40 -70.67 -36.59 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.893 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -66.69 -42.05 87.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.68 -45.03 84.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -74.11 -61.76 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -63.41 -63.22 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.03 88.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.893 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 20.8 m0 -94.74 104.01 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.78 0.324 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.6 p -60.3 134.4 57.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.75 143.53 25.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.53 161.24 37.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -145.34 155.45 43.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.6 p -102.68 42.27 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.794 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.84 -160.02 13.49 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 147.48 63.2 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.719 2.279 . . . . 0.0 112.304 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -77.28 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -136.79 133.37 35.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -148.51 143.36 26.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.36 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -163.16 133.04 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.19 -40.3 0.6 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.434 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -102.16 166.0 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 65.5 43.47 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.0 -154.2 26.67 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 98.3 p -71.68 136.68 47.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.922 0.391 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.3 m -89.22 75.11 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HE2' ' CG ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -73.13 -70.99 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -44.04 -50.68 8.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.25 -46.57 89.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 27' ' ' CYS . 5.0 tp -50.01 -46.42 52.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.483 ' CG ' ' HE2' ' A' ' 10' ' ' LYS . 5.8 mmt -51.86 -35.68 45.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -74.44 -54.33 7.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.735 HD23 ' HB3' ' A' ' 27' ' ' CYS . 35.9 tp -55.04 -39.18 68.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -41.87 -56.54 2.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -77.13 -38.22 52.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -47.18 -41.37 17.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -113.02 -52.33 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.01 29.95 7.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' SER . 27.0 m-85 -97.42 159.13 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.944 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' TYR . 64.1 m -35.61 149.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.462 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 3.1 t80 -60.22 -30.62 69.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.2 -31.29 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -61.3 -50.43 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.735 ' HB3' HD23 ' A' ' 16' ' ' LEU . 97.5 m -57.27 -61.22 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -40.26 -33.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' O ' ' N ' ' A' ' 32' ' ' GLU . 15.3 tptm -75.23 -71.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' LYS . . . -37.01 -40.94 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.579 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.9 mt -63.55 -41.88 98.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' LYS . 50.2 mm-40 -72.13 -57.84 3.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.4 m -52.19 -37.9 56.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 74.1 m -80.41 -51.53 8.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.61 64.87 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 44.33 30.53 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.51 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 38' ' ' LEU . 3.8 m-20 -104.94 78.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.847 0.355 . . . . 0.0 110.915 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.579 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.09 -46.16 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -53.09 -62.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 43' ' ' ILE . 6.7 mt-30 -60.68 -49.2 78.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLN . . . -33.73 -39.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 11.5 tt0 -71.71 -48.18 48.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.614 HG22 ' HD2' ' A' ' 47' ' ' LYS . 57.6 mt -56.12 -39.84 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -60.24 -61.65 2.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -46.86 -50.4 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 42' ' ' GLU . 41.9 m-70 -61.72 -45.17 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.614 ' HD2' HG22 ' A' ' 43' ' ' ILE . 40.2 mttm -58.98 -42.8 90.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.81 -39.91 95.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.804 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -67.19 -44.66 79.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.98 -43.8 97.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -72.74 -61.58 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -66.06 -63.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 91.0 2.16 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.804 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 18.4 m0 -99.28 150.35 22.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.773 0.32 . . . . 0.0 110.931 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -78.17 -46.31 20.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.6 119.08 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.41 139.73 52.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.3 119.03 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.9 p -148.17 166.9 26.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.43 -158.19 33.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 86.54 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 t -115.2 151.01 35.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.7 t 66.19 38.63 4.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -109.84 113.54 26.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.816 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -44.85 127.84 6.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.35 169.43 45.66 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.0 m -37.46 129.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.369 . . . . 0.0 110.831 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -139.53 119.17 13.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.82 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.62 -72.98 1.06 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.447 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -124.93 113.28 17.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -73.2 75.82 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -68.42 -43.29 77.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' LEU . 1.9 mp0 -54.19 -75.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 3.1 mm? -37.66 -39.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 27' ' ' CYS . 4.6 tp -63.17 -49.1 75.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 20.8 mtt -60.1 -40.6 90.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -70.1 -42.44 72.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' HB3' ' A' ' 27' ' ' CYS . 2.1 tt -61.77 -41.01 97.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.5 ttt180 -46.24 -51.33 14.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -72.06 -17.63 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.63 -42.33 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.444 HG22 ' CG ' ' A' ' 42' ' ' GLU . 54.2 p -109.57 -45.75 3.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 17' ' ' ARG . . . 113.03 -34.96 4.82 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.435 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -47.46 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.7 m -66.6 179.76 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.474 ' CA ' HD11 ' A' ' 13' ' ' LEU . 76.7 m-85 -68.17 -67.82 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' PHE . 86.1 t -34.34 -36.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' PHE . 3.9 m-20 -61.93 -67.96 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.862 ' HB3' HD13 ' A' ' 16' ' ' LEU . 4.3 m -49.06 -46.37 44.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 31' ' ' LEU . 17.5 tptp -49.56 -33.45 14.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' ALA . 8.5 tppt? -76.49 -70.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' HE3' ' A' ' 44' ' ' TRP . . . -38.19 -38.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD21 ' CD2' ' A' ' 38' ' ' LEU . 15.6 mt -57.87 -53.42 58.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -59.78 -57.69 11.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 m -53.41 -42.17 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 m -72.47 -69.59 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.2 47.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.21 24.86 63.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' LEU . 1.5 m-20 -103.7 81.82 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' CD2' HD21 ' A' ' 31' ' ' LEU . 5.5 mt -34.2 -46.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -55.78 -55.99 25.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.742 ' HA ' HD12 ' A' ' 43' ' ' ILE . 12.3 mm100 -63.81 -50.79 67.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.785 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -33.75 -46.5 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' CG ' HG22 ' A' ' 20' ' ' THR . 8.5 tt0 -61.38 -49.04 78.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 40' ' ' GLN . 43.0 mt -52.0 -49.29 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.578 ' CZ2' ' HG3' ' A' ' 48' ' ' GLU . 75.9 t90 -53.96 -61.18 2.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD12 HG21 ' A' ' 20' ' ' THR . 53.5 mt -40.2 -60.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.434 ' NE2' ' HG3' ' A' ' 42' ' ' GLU . 88.2 m-70 -48.75 -52.32 24.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -55.27 -58.48 7.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 44' ' ' TRP . 17.3 mm-40 -52.27 -41.53 62.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.704 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -56.64 -45.03 81.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -55.49 -40.08 71.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -83.12 -74.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -37.72 -62.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 45.82 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.704 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 23.6 m0 -63.08 -54.63 34.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.308 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 t -102.63 108.63 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.547 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -78.61 125.43 29.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 56' ' ' LYS . . . 74.05 44.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.47 -47.4 9.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.4 t -139.75 151.04 45.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.06 76.77 0.14 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.448 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 156.51 63.21 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.365 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 m -86.08 91.43 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 m -70.37 166.78 19.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 t -129.13 120.58 26.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -123.12 118.74 28.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.66 176.35 14.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -135.91 155.82 49.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -124.68 144.31 50.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.816 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.65 -116.89 1.98 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -81.47 153.71 26.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.595 ' HB2' HD13 ' A' ' 12' ' ' LEU . 7.8 p -75.68 89.79 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD3' ' HE2' ' A' ' 14' ' ' MET . 1.0 OUTLIER -49.45 -59.11 4.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -44.67 -52.22 8.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.595 HD13 ' HB2' ' A' ' 9' ' ' SER . 10.4 mp -58.49 -40.65 83.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.78 -36.54 79.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.466 ' HE2' ' HD3' ' A' ' 10' ' ' LYS . 25.4 mtt -69.85 -36.6 75.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.7 mtpt -78.19 -34.26 49.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD12 ' HB3' ' A' ' 27' ' ' CYS . 1.9 tm? -71.46 -36.57 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -56.37 -53.48 56.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.26 -24.02 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -72.43 -65.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.435 ' CG2' ' HA ' ' A' ' 42' ' ' GLU . 44.7 p -75.53 -34.22 60.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.23 -34.12 5.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.736 ' CD1' HD13 ' A' ' 45' ' ' LEU . 60.8 m-85 -45.76 161.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.925 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t -64.74 176.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -66.73 -51.24 58.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.06 -41.32 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -62.2 -65.03 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.86 ' HB3' HD12 ' A' ' 16' ' ' LEU . 55.8 m -44.6 -58.87 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 27' ' ' CYS . 9.8 ttmm -34.48 -47.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tttp -62.54 -49.88 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' CYS . . . -60.74 -53.65 54.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.058 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 41' ' ' ALA . 17.4 mt -58.5 -44.57 89.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -61.46 -57.8 10.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.4 m -56.19 -39.69 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.28 -73.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.57 33.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.506 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.494 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 79.15 -15.4 11.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.446 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -62.85 88.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mp -39.69 -43.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.8 tptt -55.92 -53.31 58.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 43' ' ' ILE . 16.1 mm-40 -67.25 -52.02 45.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.709 ' HB2' HD23 ' A' ' 31' ' ' LEU . . . -35.07 -44.28 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 5.4 tt0 -59.87 -54.74 42.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 40' ' ' GLN . 27.4 mt -49.28 -52.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -42.25 -61.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.736 HD13 ' CD1' ' A' ' 22' ' ' TYR . 18.0 mt -48.4 -43.3 33.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' CE1' ' HG3' ' A' ' 42' ' ' GLU . 0.3 OUTLIER -64.91 -40.13 94.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HD2' HG22 ' A' ' 43' ' ' ILE . 39.2 mttt -64.46 -47.07 80.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.55 -43.34 94.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . . . -60.5 -50.68 72.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -51.03 -41.6 59.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -75.99 -62.52 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.79 -63.12 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.84 43.55 1.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.448 ' CE3' ' HB2' ' A' ' 49' ' ' ALA . 23.3 m0 -61.69 154.94 23.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.1 t -40.69 129.25 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -145.84 145.55 30.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.48 136.11 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -129.78 41.09 3.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.5 t -75.46 169.71 17.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.7 -158.19 32.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.59 5.77 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.676 2.25 . . . . 0.0 112.323 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.4 t -134.92 151.98 51.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.5 t 58.86 42.18 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.881 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.964 . . . . . . . . 0 0 . 1 stop_ save_