data_2lj8_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 2lj8 _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 ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 73.15 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.46 147.17 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.838 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.32 122.92 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 73.53 111.155 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 160.75 31.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 54.5 111.102 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -56.62 -39.65 74.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.26 -41.48 79.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.9 -45.09 83.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.87 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.59 -39.86 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.104 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -70.48 -40.98 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.145 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.19 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.15 111.054 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -69.18 -38.58 78.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.918 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -57.62 -46.99 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.6 -38.01 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.9 -36.07 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -24.73 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.859 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 18.4 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.88 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 46.81 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.896 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.29 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.933 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.78 -77.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -174.45 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -144.37 154.86 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.95 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.01 129.76 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 71.3 111.084 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mt -114.59 123.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.158 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.83 156.1 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.844 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -132.15 166.81 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.72 128.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 74.12 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.4 128.11 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.14 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.04 16.46 8.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.34 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 48.84 31.99 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.895 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.13 -41.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.92 126.9 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.849 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -82.88 131.6 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 75.01 111.13 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.98 156.85 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 65.45 111.072 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.27 138.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.131 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -105.4 -43.7 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.32 110.921 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 m -161.91 122.42 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 tt -98.65 146.9 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.146 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.19 -148.2 17.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 64.44 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.53 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 72.24 110.838 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -173.8 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.78 70.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 75.11 112.499 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.15 158.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.42 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.4 151.1 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 60.04 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.62 -33.9 76.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.68 -47.36 72.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.848 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.75 -36.74 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.907 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.99 -49.49 75.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.5 mm -71.58 -38.94 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.4 111.139 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.26 -40.55 86.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -53.23 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.31 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.22 143.72 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 65.44 111.106 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.19 111.1 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -66.85 89.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.19 -72.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.3 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.18 154.39 95.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.693 . . . . 75.11 111.192 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.04 4.38 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.676 2.251 . . . . 72.03 112.358 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.9 m -132.58 155.85 47.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.873 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -128.95 130.3 46.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.91 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.27 123.74 40.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 61.14 111.069 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.14 131.61 53.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 75.3 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -124.13 127.38 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.82 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -97.35 124.11 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 63.32 110.819 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -135.74 132.98 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.905 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.341 . . . . 75.42 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -132.02 134.65 45.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 72.02 110.889 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 129.61 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.909 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.6 137.81 45.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 73.01 110.937 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.9 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.22 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.93 119.84 31.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.959 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.6 mt -113.54 122.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t -101.16 138.51 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -99.84 123.53 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -173.49 85.12 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 55.31 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.648 2.232 . . . . 74.24 112.353 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.11 -24.44 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -99.09 13.47 32.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.874 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.27 -111.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 74.22 112.475 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.82 159.94 61.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 73.44 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -47.87 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.4 112.322 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -64.21 -35.59 81.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.844 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.6 p -63.94 -45.48 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 54.35 111.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -36.09 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.907 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.34 -46.82 59.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.897 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.11 -30.05 58.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.17 -42.99 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -35.35 62.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.856 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 t -67.39 -25.94 66.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 65.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.99 -25.24 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 72.45 110.867 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -39.33 76.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.24 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -42.74 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.871 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.09 -23.03 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 mt -83.63 -22.06 32.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.567 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.84 -55.34 42.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 64.04 111.124 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.269 . . . . 74.33 112.329 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.38 -47.74 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.898 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.5 p -96.21 62.54 2.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.153 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.12 122.6 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 18.66 41.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 74.42 112.468 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -129.34 131.2 46.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 74.31 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -68.23 104.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.93 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -97.29 117.43 5.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 73.31 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.42 138.58 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 74.31 111.107 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.85 116.85 30.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.15 128.48 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.35 111.132 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.98 160.05 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.54 -164.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.54 -26.48 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 64.32 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -24.63 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 70.03 110.859 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.87 -23.17 23.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.442 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.4 mt -105.97 24.61 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.11 110.913 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.99 97.2 4.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.876 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -51.8 -38.64 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.905 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.54 -36.9 81.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.843 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -37.53 80.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.0 mt -68.27 -46.98 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 73.1 111.145 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.77 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.64 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.847 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -67.68 -48.7 65.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.858 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.97 -37.85 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -65.49 -33.74 76.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.44 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 t -84.35 -34.0 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.818 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.87 55.58 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.911 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.86 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.866 0.365 . . . . 64.52 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.66 152.73 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 p -73.35 122.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 62.5 111.096 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 160.72 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.118 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -55.26 -35.26 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.48 -45.08 85.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.72 -44.05 94.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.858 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.7 -44.3 89.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.54 111.094 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -66.27 -43.42 86.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.54 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.16 -39.64 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.42 110.945 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -58.15 -45.91 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -37.13 70.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.05 110.806 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.62 -42.9 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.944 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.85 67.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.908 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.24 20.62 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 mttt 62.53 46.62 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.854 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -57.62 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.34 -76.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -76.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 74.32 110.889 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.53 155.3 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.949 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.2 m -131.94 128.83 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 75.02 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.3 mt -108.05 135.27 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.118 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.31 156.11 49.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.877 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -131.71 168.03 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.896 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 mt -85.74 124.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -107.99 130.46 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.23 16.12 8.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 48.55 31.77 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.865 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -143.25 -41.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.98 126.74 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.856 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -81.19 131.62 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.43 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.88 160.35 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.11 111.094 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.41 138.23 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 64.23 111.111 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -108.27 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.889 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -162.99 121.89 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.22 111.132 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.7 pt -98.38 147.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.122 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.13 -58.76 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.546 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 84.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 72.43 110.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.22 18.74 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.863 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.25 76.1 1.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 74.24 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.0 166.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 62.53 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.94 156.11 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -32.49 73.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -68.01 -47.4 68.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.05 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -74.51 -34.98 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.919 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.39 -48.54 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -71.38 -43.23 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.03 111.156 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.17 -38.15 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.41 110.91 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -55.14 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 tt -67.24 143.46 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.45 111.129 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -145.91 99.74 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.867 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 103.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -179.6 -71.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.87 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.1 m -78.09 154.19 79.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 75.44 111.117 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 109.18 2.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 73.32 112.356 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 m -126.61 157.94 37.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -129.19 129.85 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.936 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.83 129.46 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 75.41 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.7 130.12 54.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 72.51 111.11 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.0 127.22 50.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.54 110.888 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.41 123.4 41.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.01 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -122.17 166.89 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.05 110.871 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.871 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 75.45 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.94 134.66 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.04 129.88 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.45 133.9 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.42 110.878 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.84 148.68 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.23 111.117 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 119.69 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.32 110.887 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.09 122.25 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.04 111.136 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 p -101.37 137.65 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.858 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -99.82 115.39 29.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 74.45 110.95 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.95 88.72 1.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 71.13 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.42 23.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 73.32 112.361 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -22.67 52.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.85 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -101.82 13.65 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 72.01 110.858 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.49 -110.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 72.31 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.48 159.99 70.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 63.31 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -40.98 4.72 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 71.21 112.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -68.11 -32.6 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.869 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -68.53 -46.23 70.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.147 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.4 -38.22 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.917 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -48.0 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.846 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.08 -31.01 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.958 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -59.13 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.929 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -33.07 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.838 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 t -67.27 -25.41 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.882 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -101.5 -22.65 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -39.37 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -41.93 97.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.861 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.12 -23.02 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.03 111.13 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.4 -25.42 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.24 -55.45 31.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 74.12 111.11 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.72 -32.18 19.25 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.69 2.26 . . . . 73.12 112.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -47.99 71.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 75.21 110.938 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.1 p -103.12 63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.35 111.13 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.43 122.63 29.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.875 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.91 18.43 17.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 62.02 112.488 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -130.51 148.83 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.32 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 128.01 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.24 117.61 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 73.34 112.453 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 6.9 mm -128.44 120.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 64.52 111.086 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.14 115.76 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.871 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -149.03 136.1 19.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.094 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -102.06 155.08 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.42 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.82 -162.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 64.53 110.868 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -25.97 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.1 111.096 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -21.39 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.01 110.855 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -98.15 17.47 58.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.48 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.8 mt -141.4 25.58 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 73.14 110.947 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -77.72 115.72 17.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.905 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.67 -49.22 78.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -33.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.8 -40.32 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.888 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.0 mm -68.24 -47.08 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.11 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 m -62.58 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -69.56 -36.73 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -48.38 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.843 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.79 -37.83 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.118 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -65.86 -31.56 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 m -80.75 -40.51 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.872 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.1 t30 61.02 40.65 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 71.44 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.879 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.347 . . . . 74.21 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.88 137.93 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.854 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.32 122.18 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 73.3 111.085 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.26 158.21 27.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.48 -32.38 49.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.904 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.58 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 70.54 110.868 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.7 -51.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.117 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -63.48 -41.03 98.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.126 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.06 -45.15 87.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.087 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.07 -40.41 78.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -57.81 -45.97 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 -40.06 70.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.829 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 tp -55.4 -44.19 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -24.66 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.41 20.46 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.37 46.68 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -66.79 -59.11 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.843 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -78.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 53.33 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 178.72 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -138.67 138.47 37.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.89 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -130.65 115.29 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.05 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.98 137.07 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.54 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 156.33 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.881 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -135.5 161.5 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.9 mt -85.84 127.68 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.151 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.05 135.3 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 75.24 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.08 23.89 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.828 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 39.23 41.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.919 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -152.58 -40.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.25 126.92 46.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.859 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.23 131.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 73.31 111.152 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.39 160.05 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 73.44 111.112 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.71 137.04 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 74.22 111.086 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.1 -48.83 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -161.28 109.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.53 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -98.57 133.98 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.12 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.01 -178.15 31.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 62.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -179.34 70.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 75.33 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 51.77 73.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.867 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.63 -27.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 73.43 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.29 112.9 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 71.14 111.088 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.66 161.44 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.863 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -69.46 -36.96 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -46.77 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 72.23 110.85 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.01 83.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.901 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.03 -45.77 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 75.25 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -70.14 -40.66 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -40.56 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.46 -54.32 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.066 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.91 146.1 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.119 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.1 110.45 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.89 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 101.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 179.52 -74.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.865 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.81 151.94 61.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 70.54 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 51.45 112.33 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.1 p -107.56 156.3 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.903 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.66 132.67 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.942 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.24 118.02 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 75.33 111.072 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.14 130.59 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -117.29 126.71 53.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.28 116.71 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -128.67 175.33 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.887 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.326 . . . . 74.14 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 134.69 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.84 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.04 126.46 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.907 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.48 135.65 48.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.908 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -114.87 148.26 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.21 119.29 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.2 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.48 125.04 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.108 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.1 138.35 38.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 62.22 110.837 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -106.06 115.62 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.871 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -161.05 87.35 1.69 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.663 0.744 . . . . 73.54 110.911 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 132.77 24.13 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.265 . . . . 73.31 112.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -23.27 51.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.879 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 m -101.16 13.57 34.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.887 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.96 159.57 71.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 52.12 111.08 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 75.15 112.345 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -69.05 -33.03 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.918 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.4 p -73.84 -47.23 39.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 73.22 111.141 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -34.93 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -71.39 -47.99 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 73.15 110.891 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.76 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.22 -41.66 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 t -74.12 -41.51 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.62 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 64.33 110.819 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -96.9 -24.79 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.876 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -61.64 -40.48 95.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.905 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -42.83 97.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.805 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.96 -22.84 45.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.0 -24.26 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.91 -55.44 35.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 62.15 111.162 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.82 -33.17 16.91 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.677 2.252 . . . . 73.11 112.346 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -48.02 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.91 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -111.08 59.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.073 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -85.32 122.45 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.29 -42.66 1.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 65.21 112.463 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.1 151.12 44.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 72.35 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.71 105.41 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 75.3 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.07 113.8 4.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 73.52 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mp -131.5 136.37 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 74.1 111.093 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -107.57 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.86 133.87 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -97.97 157.22 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.88 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.84 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.19 12.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 64.11 111.07 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.04 110.892 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.78 18.78 39.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.725 . . . . 75.21 112.526 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.3 mt -140.06 25.96 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.326 . . . . 70.04 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.85 108.38 14.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.875 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -51.81 -45.76 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.45 -31.86 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.14 110.889 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.65 -42.46 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.43 110.877 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.9 -47.26 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -40.85 95.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.84 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.56 -36.56 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 74.4 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -48.69 75.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.8 -37.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 53.25 111.155 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -35.7 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.14 110.877 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.6 t -80.63 -29.67 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.845 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.31 26.61 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.842 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.853 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 73.52 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.3 143.28 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.82 124.64 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 73.23 111.133 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.72 154.71 40.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 70.52 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.52 -36.98 62.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 74.1 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.34 -36.98 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.933 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.44 -45.27 73.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.821 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.48 -47.61 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 72.45 111.128 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -65.11 -42.38 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.106 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.15 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 55.23 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.76 -40.3 79.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.894 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.98 -45.98 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.83 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.68 -38.9 70.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 64.52 110.838 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.48 -44.34 80.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 73.54 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -24.3 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.86 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 20.16 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 62.04 46.64 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -73.2 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.905 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -75.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.844 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -179.01 -70.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -140.12 150.64 44.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.921 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.1 123.45 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 72.43 111.144 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -110.07 132.25 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.7 mtm -135.34 155.75 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.88 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -130.8 165.37 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -85.9 125.19 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -109.5 128.61 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.145 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.12 15.64 8.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.817 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.04 31.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -144.74 -41.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.13 126.99 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.43 110.819 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.7 131.41 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 74.05 111.148 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.61 156.64 41.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.064 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.29 138.38 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -46.42 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.23 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -161.42 111.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 74.02 111.09 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.1 tt -97.17 142.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.17 -179.22 28.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 73.32 112.552 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.88 49.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 74.4 110.867 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 59.61 20.26 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.45 5.58 3.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 71.21 112.501 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.92 130.26 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.4 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.71 175.28 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -69.41 -39.24 78.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -46.95 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 72.23 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.45 -39.79 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -59.65 -50.92 72.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 65.15 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.81 -41.98 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.12 84.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.862 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.04 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.081 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.02 125.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 74.3 111.102 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -118.47 129.61 55.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 64.25 110.85 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.89 91.96 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 179.93 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.35 110.83 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.63 154.54 71.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 75.44 111.15 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 130.4 19.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.729 2.286 . . . . 73.24 112.334 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -140.77 142.44 34.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 60.13 110.913 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -117.75 130.15 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.932 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.74 122.8 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.22 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.15 136.9 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 63.33 111.115 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -131.11 130.41 43.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.924 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -94.02 133.36 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -139.76 132.46 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.888 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.902 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.342 . . . . 64.53 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -134.66 135.17 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.7 141.79 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.895 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.56 137.68 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 63.5 110.936 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.0 149.01 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 tp -117.18 119.55 35.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.907 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.25 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.162 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.07 127.63 47.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.828 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -112.59 114.52 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.03 110.893 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 p30 177.38 156.31 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 71.41 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.36 19.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 75.3 112.364 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.97 -41.06 91.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.84 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 14.27 24.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 62.22 110.882 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.21 -95.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 73.15 112.532 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.23 159.47 33.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 73.25 111.124 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.97 5.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 70.32 112.333 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.04 -43.2 83.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.3 m -67.3 -37.83 84.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.53 111.159 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -67.77 -46.32 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -41.84 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 63.2 110.934 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.07 -29.86 58.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.882 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -59.04 -34.13 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -97.72 -29.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 61.24 110.843 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -26.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.836 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.4 t -99.07 -33.31 10.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.31 110.81 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -56.31 -39.38 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.55 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.01 -40.43 95.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.877 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.28 -23.96 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -25.83 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.567 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.36 -55.35 29.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 74.35 111.105 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.72 -33.05 17.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 72.33 112.353 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -41.92 88.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.885 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -130.8 70.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.31 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.26 122.43 28.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 132.47 -44.88 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 72.11 112.501 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.24 158.26 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.33 110.833 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.29 144.68 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.49 126.87 7.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 75.44 112.524 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.3 120.27 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 74.12 111.12 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.56 116.67 33.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 64.15 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.82 132.8 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.41 111.077 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.93 155.56 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.84 -163.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.31 110.883 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.09 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -22.61 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -102.92 19.86 45.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.479 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.09 24.5 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 72.42 110.916 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.28 105.71 16.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.885 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -59.53 -42.96 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.896 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.66 -34.87 69.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 74.33 110.849 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.56 -40.41 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.03 -47.1 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.161 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m -63.39 -38.83 92.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 60.42 110.803 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -37.61 78.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.855 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -66.07 -48.32 71.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.78 -37.7 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.181 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -69.9 -34.92 74.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.859 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.4 m -69.43 -37.76 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.851 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 53.69 34.05 18.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.932 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.32 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.847 0.356 . . . . 74.52 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.78 136.54 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.839 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -83.09 132.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 74.55 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.33 149.72 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -35.67 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -58.64 -44.76 90.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.77 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.59 -50.49 78.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 75.12 111.117 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -63.31 -41.19 98.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.121 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.18 83.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.04 111.091 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.3 -39.63 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.898 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.88 86.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.71 -37.01 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.874 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -43.16 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 61.23 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -23.81 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 20.11 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.45 46.7 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.892 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.39 -66.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.88 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.52 -75.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.865 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.67 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -144.83 142.28 29.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.955 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.03 124.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.115 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -109.21 135.74 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.174 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.14 154.61 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.892 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -128.55 168.58 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.797 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -96.37 113.33 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.02 144.93 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.43 111.141 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 58.48 20.73 7.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 74.3 110.901 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 39.02 41.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.912 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -157.2 -38.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -116.06 150.86 36.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 64.31 110.841 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -103.18 130.85 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 72.5 111.112 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.1 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.1 111.088 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.19 138.36 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 63.41 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -106.09 -42.27 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -161.2 109.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.8 146.1 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.41 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.62 -174.18 24.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.474 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.12 54.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 75.33 110.862 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 61.89 18.16 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.889 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -34.34 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.507 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.41 130.73 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.45 111.141 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.69 172.09 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.848 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.57 -41.1 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.854 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -57.59 -46.85 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.94 -36.0 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -62.82 -50.91 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.09 -41.83 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.01 111.092 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -60.46 -40.44 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 -53.78 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.12 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.11 124.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.23 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.85 122.74 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.85 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 91.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.945 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.72 -74.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.9 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.02 154.43 84.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 74.43 111.143 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 126.62 13.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.221 . . . . 54.22 112.358 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.6 m -145.54 151.74 38.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 73.22 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.1 130.06 46.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.903 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.92 125.83 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.095 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.92 119.89 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.139 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -116.62 127.46 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.02 127.19 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.868 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -135.79 125.31 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.903 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 73.1 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -111.29 134.48 52.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 133.64 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -108.46 134.81 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.959 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.85 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 75.2 111.113 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.88 119.81 33.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.916 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.45 122.53 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.102 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -114.07 138.83 49.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.833 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -91.36 115.38 27.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.13 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -148.08 78.62 9.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 74.24 110.865 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.59 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 73.23 112.303 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -58.21 -22.66 52.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.832 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.93 13.55 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 54.14 110.826 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -67.93 -106.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 45.43 112.495 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.96 160.41 62.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 65.43 111.037 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -45.67 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.635 2.223 . . . . 73.13 112.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.03 -44.51 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.824 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.8 p -63.34 -43.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 63.41 111.152 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -57.71 -46.38 84.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.91 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.31 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.45 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.25 -47.36 85.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -37.12 82.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.877 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -67.26 -34.74 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 61.44 110.864 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -84.02 -32.14 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.855 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.39 88.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.882 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.68 -42.17 98.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.895 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.21 43.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 73.01 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.82 -22.9 31.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.41 110.949 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.76 -55.33 39.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 64.15 111.087 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.74 -34.52 14.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 74.41 112.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -44.59 82.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.943 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -120.17 65.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.42 111.138 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.22 122.44 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 71.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.86 -46.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 70.43 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.1 149.57 46.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 65.51 110.839 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.22 107.26 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.67 121.88 7.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 55.34 112.515 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.37 138.58 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 72.43 111.122 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.73 116.9 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 132.03 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -97.92 163.18 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.6 -26.25 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.086 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.68 -23.71 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.882 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.65 38.04 3.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.35 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 pp -175.73 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.31 110.892 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.0 117.54 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -52.11 -43.44 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.876 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.02 -34.88 78.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 63.1 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.68 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.23 110.892 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.14 -47.2 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.14 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 64.7 m -62.89 -40.15 96.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -65.99 -36.79 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -48.4 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.892 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -37.89 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 72.34 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -71.24 -35.41 71.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 m -75.72 -32.23 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 44.34 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 54.61 27.23 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 71.35 110.892 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.853 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.854 0.359 . . . . 73.42 111.16 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -143.36 145.21 32.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.878 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.31 127.87 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.158 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.82 157.59 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.32 111.044 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -36.0 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.93 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.97 -33.96 76.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -71.03 -45.24 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.4 -45.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 72.45 111.119 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.5 m -65.85 -46.66 77.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 72.15 111.133 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.99 82.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.22 111.055 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.18 -42.79 75.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 75.55 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.21 -45.83 86.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -69.21 -42.4 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.875 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -34.82 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.952 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -63.37 -25.31 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.863 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 16.64 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.33 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt 61.98 46.67 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.51 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -20.97 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 53.42 110.895 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.01 -80.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.866 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 177.39 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -145.24 155.29 43.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.932 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -142.5 120.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 63.32 111.11 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 mt -102.18 132.33 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.53 111.141 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.63 154.23 48.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.88 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -133.94 162.62 31.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 73.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.6 mt -85.88 122.21 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 74.11 111.089 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.2 t -105.08 129.26 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.51 111.121 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.92 15.72 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.859 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.75 32.13 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -41.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.928 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.74 126.91 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -80.81 131.43 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.76 158.87 38.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.149 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.82 138.39 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.066 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.89 -49.57 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.5 m -161.46 104.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.05 111.167 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 tt -96.91 147.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 70.14 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.28 -175.26 25.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 53.32 112.472 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.53 66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 71.43 110.881 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 51.54 80.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.892 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.84 -18.88 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 64.33 112.481 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.12 120.67 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.52 111.089 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.63 174.89 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -68.54 -37.05 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 70.12 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.03 -46.85 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.88 -41.46 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -60.41 -51.62 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.47 -45.42 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.41 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.49 -40.14 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 73.22 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.6 pt -66.28 142.71 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.91 125.89 40.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.866 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.35 76.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -179.36 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.899 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -79.62 154.64 76.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 71.13 111.113 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.51 6.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 52.12 112.32 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 t -132.91 140.67 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.1 130.08 46.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.967 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.27 129.35 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.22 111.108 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.72 114.05 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 74.34 110.844 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -84.6 130.82 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.45 170.17 16.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.88 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.864 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 75.05 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.86 134.58 54.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.857 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.59 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.888 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.3 136.34 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.6 mt -115.0 148.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.159 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.23 121.18 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.921 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.3 129.86 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.099 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.21 128.98 47.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -110.56 114.76 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.943 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.55 140.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 75.4 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.62 23.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.25 . . . . 65.12 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.34 -21.85 60.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.877 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.2 13.71 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.904 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.89 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 54.11 112.452 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.09 159.92 69.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 70.34 111.097 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.38 7.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 73.53 112.366 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -66.84 -34.24 77.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.3 m -68.18 -45.97 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.178 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -38.84 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -48.12 52.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.855 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -34.42 76.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.933 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.16 -48.74 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.923 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -63.27 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.3 t -67.2 -42.49 84.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 52.25 110.845 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 p -71.5 -45.1 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.841 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.16 -39.47 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -40.53 89.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 73.05 110.857 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.17 -23.11 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.037 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -26.08 31.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.92 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.62 -55.32 30.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 74.01 111.162 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.76 -31.75 19.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 73.14 112.335 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -48.04 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.926 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 36.5 p -103.27 56.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.126 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.57 122.57 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 74.42 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.26 42.72 6.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 70.24 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.86 154.85 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 73.44 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -104.32 98.44 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.899 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.26 111.97 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 52.13 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.68 138.36 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 74.52 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.76 116.9 32.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.881 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.88 126.87 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.128 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -97.85 159.88 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.926 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.04 -164.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.858 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.76 -26.11 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.126 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -21.16 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 70.43 110.903 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.38 -13.22 63.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 42.14 112.467 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.5 mt -102.95 24.33 10.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 74.03 110.919 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 95.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.815 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -60.24 -38.25 82.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.61 -41.23 92.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 71.12 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.95 -41.14 87.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 71.41 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.2 mt -64.75 -47.36 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.097 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 p -63.29 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.901 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 74.2 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -67.75 -48.48 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -67.89 -37.85 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.106 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.12 -33.32 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -86.95 -31.21 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.863 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 63.26 30.41 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 61.35 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 137.15 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 p -73.25 127.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 151.21 47.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.125 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -53.44 -36.97 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.854 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.54 -43.08 84.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.15 -41.64 90.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.846 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.6 t -59.31 -52.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 71.25 111.117 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.145 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.3 87.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.078 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.62 -40.45 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.947 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.88 -46.19 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.84 -37.46 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 54.44 110.881 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.24 -38.0 78.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.896 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.23 -24.23 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -94.0 20.02 8.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 56.44 46.7 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -30.72 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.872 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.98 -76.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.852 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 -68.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.871 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -145.34 154.3 42.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 75.23 110.904 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.65 126.46 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.155 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.73 136.07 45.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 70.1 111.117 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.86 156.15 49.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.875 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -134.06 166.38 22.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 71.41 110.867 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.79 125.73 40.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.13 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -109.44 130.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 75.41 111.123 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.66 15.88 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.832 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 48.6 32.1 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -144.86 -41.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.97 126.81 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.42 110.853 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.74 131.54 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.82 160.98 30.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 73.22 111.125 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.67 138.24 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.42 111.121 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -106.0 -49.83 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.2 m -161.74 107.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 tt -96.59 147.7 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 72.45 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.7 -172.76 25.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 62.51 112.49 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -179.92 58.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 73.14 110.915 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 55.72 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.88 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.04 -28.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.499 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.93 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.309 . . . . 64.52 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' H ' ' NE2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -71.56 167.03 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.899 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.93 -32.63 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.13 110.941 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -47.42 84.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.85 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' H ' ' A' ' 56' ' ' ASN . 8.7 pt20 -69.95 -31.0 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.941 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.44 -51.51 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.869 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -36.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.5 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.15 -39.85 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.858 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.65 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.54 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.53 135.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.094 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.35 118.23 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.887 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 88.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -179.46 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.89 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 m -66.98 154.58 92.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 75.52 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 65.34 112.359 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.6 m -139.66 153.97 47.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.15 130.07 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.936 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.5 128.27 50.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 64.15 111.093 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.67 129.2 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 73.44 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.52 128.71 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.64 133.52 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 72.32 110.912 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -139.12 161.96 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.886 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.837 0.351 . . . . 75.31 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -119.39 134.52 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 128.67 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.55 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 138.2 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.93 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.63 149.05 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.144 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -122.97 118.9 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.968 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.58 119.39 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.25 111.115 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 t -101.31 138.71 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -93.42 115.26 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 70.12 110.841 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.13 85.73 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 74.14 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.86 24.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 72.25 112.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -58.01 -22.9 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.897 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 13.77 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 64.15 110.877 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.57 -111.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 64.15 112.482 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.5 159.37 58.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 72.04 111.081 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.29 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 72.24 112.329 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -59.95 -42.53 94.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.842 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.9 p -66.47 -38.91 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.122 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -62.88 -48.26 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -42.44 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 64.4 110.878 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.07 -29.91 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.951 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -58.96 -48.81 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.946 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 t -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.844 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 m -55.58 -26.1 41.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.834 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -95.47 -26.32 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.857 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -39.37 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.879 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.05 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 64.25 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.74 -23.25 31.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.48 -55.38 38.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 74.53 111.114 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 -33.45 16.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 71.14 112.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.91 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.8 p -119.86 64.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.17 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -85.36 122.49 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.49 -50.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 70.12 112.5 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.16 144.52 50.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 75.04 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.42 101.24 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.966 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.02 104.07 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 51.51 112.463 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.67 128.78 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 75.33 111.123 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -82.55 133.72 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.91 127.98 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 74.53 111.094 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -108.14 158.4 17.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.929 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.59 -164.5 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.61 -26.58 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.116 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.05 18.84 36.03 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 74.5 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.6 mt -136.3 23.88 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 71.55 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.12 106.79 19.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -51.82 -38.07 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.832 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 -34.04 68.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.21 -42.29 80.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.923 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.29 -47.2 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -64.19 -37.57 87.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.4 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.871 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.9 p -63.55 -40.4 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -22.27 53.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.916 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -32.03 73.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 70.02 110.854 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.7 m120 54.81 33.16 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.853 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.828 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 70.31 111.106 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.88 141.5 40.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 71.53 110.903 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 p -73.22 122.79 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.176 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.31 155.88 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.14 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -53.46 -36.94 62.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.84 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.87 -43.08 90.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 71.35 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -65.64 -43.7 88.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 73.11 110.899 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.66 -48.11 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.22 111.076 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -41.96 95.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.141 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.21 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.085 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.17 -39.9 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.927 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.02 -45.89 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.865 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.73 -38.69 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -44.45 81.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -63.69 -24.33 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.854 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.25 20.13 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.869 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tttt 62.17 46.59 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.927 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -71.23 -68.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 74.13 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.98 -76.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.01 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -145.21 153.34 41.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.903 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.15 123.82 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 63.42 111.176 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 mt -107.44 136.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.14 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.76 155.88 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -129.37 163.59 25.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.847 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 mt -85.77 126.02 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.183 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -110.63 127.72 67.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.114 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.0 15.82 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.801 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 48.96 32.18 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.928 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -145.09 -41.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.25 110.876 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.82 127.02 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.32 131.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.101 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.16 150.63 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.1 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.26 138.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -107.18 -46.38 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.876 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -162.06 106.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.43 111.184 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.55 147.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.167 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.81 -171.77 25.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.534 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -179.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 60.74 19.72 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.65 13.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 73.03 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.33 111.11 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 72.55 111.088 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.93 162.41 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -69.53 -36.91 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -46.86 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.85 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.884 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -65.63 -45.71 82.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.878 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.31 -43.97 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 73.34 111.15 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.52 -40.51 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.915 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.57 -53.29 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.064 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.64 147.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 74.13 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -169.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.909 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.54 68.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.905 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.19 152.9 96.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 70.55 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 74.01 112.351 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.49 147.54 50.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 71.13 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -129.01 129.9 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.47 123.89 48.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 40.02 111.143 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.43 113.27 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -111.53 127.54 55.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -101.63 122.32 43.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -133.37 135.15 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 70.24 110.891 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 73.01 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.02 134.62 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.03 110.841 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.85 134.65 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.02 110.867 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.63 130.02 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.876 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.94 150.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.143 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.23 121.02 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.41 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 129.98 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.21 111.132 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.17 125.69 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.854 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -111.77 114.17 26.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.19 160.04 0.51 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.554 0.692 . . . . 73.34 110.911 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 63.01 112.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.93 -41.17 91.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.53 110.867 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.3 13.9 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.15 110.803 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.85 -93.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 64.13 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.55 156.64 45.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 71.53 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 74.31 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -45.47 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -68.09 -37.2 80.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.124 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -65.33 -48.2 73.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -39.89 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.03 -29.69 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.932 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -58.8 -48.86 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.957 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -78.58 -32.2 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.891 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -67.28 -22.07 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.81 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.21 -25.66 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 61.24 110.847 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -40.8 97.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.84 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -22.9 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.76 -26.51 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 64.42 110.951 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.67 -55.51 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 73.12 111.154 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.71 -31.23 21.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 74.42 112.358 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -24.28 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.938 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.3 p -130.66 61.47 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -52.76 122.47 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.5 110.891 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 79.92 46.92 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 62.42 112.492 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.53 158.16 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.53 110.888 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.94 104.01 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.2 113.31 4.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 62.43 112.511 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.45 136.31 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 75.2 111.165 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -109.83 123.99 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 72.11 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 130.75 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.059 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -97.78 156.47 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 63.03 110.861 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.91 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.843 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.37 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.105 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 t -59.72 -23.25 63.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.859 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.98 29.76 11.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.42 112.497 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.1 mt -142.07 20.62 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 71.03 110.933 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.44 96.2 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.884 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -55.7 -42.39 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -32.0 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -68.31 -42.08 79.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.59 -47.13 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 65.31 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 m -62.41 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.826 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -37.14 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.845 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -48.4 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.94 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.9 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.11 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -28.04 64.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.877 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t -83.08 -27.57 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.885 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 57.87 53.35 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 75.34 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 136.79 54.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.803 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.55 122.46 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 143.79 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.116 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.3 -31.46 44.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.887 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.896 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.64 -48.34 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.139 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -64.55 -44.01 92.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.55 111.149 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.57 85.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 64.14 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.16 -42.02 76.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -46.02 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.86 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.58 -37.0 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.831 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.79 -35.17 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.919 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -62.77 -24.74 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 18.23 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.16 46.61 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.895 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.41 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -78.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.852 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.12 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 75.41 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -145.21 155.35 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.32 122.27 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 74.45 111.131 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -107.67 137.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.07 153.7 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 71.55 110.876 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -128.15 150.85 49.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 74.51 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.1 mt -84.97 117.72 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.106 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.48 134.04 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.149 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.7 24.0 6.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.843 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 39.46 40.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -151.1 -40.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.61 127.05 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 64.24 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.8 mt -83.11 131.06 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.14 44.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.065 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.1 138.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.121 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 -56.44 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.926 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -158.89 106.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.115 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.8 tt -96.93 145.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.082 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.61 -179.75 22.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 73.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -178.73 65.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 75.33 110.91 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 55.92 24.64 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.892 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.31 -36.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 72.44 112.458 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.5 141.33 20.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 72.24 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.36 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.926 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.48 -41.96 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 71.32 110.881 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -46.78 86.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -71.09 -31.28 67.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.88 -47.97 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.889 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.3 -43.25 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.04 111.142 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.59 -40.31 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.38 -53.92 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.28 147.37 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 72.43 111.147 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.08 -170.09 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.899 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -143.4 75.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.02 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.6 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 61.35 110.913 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.15 154.47 37.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 64.41 111.135 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 75.23 112.319 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.7 m -137.48 142.34 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -115.78 129.6 56.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.964 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.1 123.04 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 63.24 111.077 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.63 123.6 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.14 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.25 127.1 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.5 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -104.23 118.81 37.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.862 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -118.51 118.68 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.879 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.886 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 74.42 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -145.19 134.64 23.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 125.73 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.884 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.05 128.83 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.917 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.34 148.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.094 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.08 118.96 31.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.904 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.4 mp -117.78 129.4 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.12 111.161 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.33 117.57 35.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.87 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -105.9 114.51 28.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -179.84 155.07 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 74.4 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 130.79 19.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 73.42 112.329 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.09 -41.23 90.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.12 110.879 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -109.0 14.07 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.842 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.35 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 74.42 112.488 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.2 158.87 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 71.15 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -36.74 10.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 74.23 112.315 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -69.23 -32.45 71.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.75 -47.23 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.109 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -48.07 49.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.35 110.889 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.3 -30.46 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.11 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.95 -33.85 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.955 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -32.97 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 73.04 110.851 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -42.64 83.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 61.24 110.873 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t -83.85 -17.32 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.87 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -38.99 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.859 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.87 -41.62 98.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.877 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.95 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.77 -15.26 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.937 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.558 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -61.21 -55.53 42.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 75.21 111.134 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.5 Cg_endo -69.8 -34.08 15.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 65.14 112.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -48.31 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.917 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 p -105.9 46.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 63.11 111.168 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -81.66 132.47 35.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 12.54 33.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 72.1 112.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.37 152.85 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 75.55 110.841 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -81.84 111.79 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.13 120.23 6.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 70.12 112.49 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.45 138.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 71.33 111.083 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -109.89 120.23 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 64.42 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.58 138.59 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -97.46 156.96 16.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 53.42 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.67 -161.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 65.12 110.854 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.13 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.12 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -60.2 -22.82 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.04 43.11 1.74 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.491 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 33.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 75.51 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.12 110.47 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.872 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -47.69 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.901 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.45 -34.46 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 73.14 110.841 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.58 -39.65 80.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.0 mt -67.19 -47.03 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.161 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.3 m -64.81 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -37.56 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.888 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.61 -48.6 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.05 -37.79 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.13 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -63.24 -34.73 78.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 -37.64 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 60.08 33.0 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.6 mtt-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.886 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.776 0.322 . . . . 73.13 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.92 136.86 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.856 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.5 p -73.39 122.74 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 73.43 111.11 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 152.66 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.11 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -58.5 -28.45 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.9 -43.46 91.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 m -66.05 -42.74 89.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 62.35 110.911 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -58.68 -52.15 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.23 111.161 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.13 111.143 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.64 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.05 111.092 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -69.08 -40.41 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.81 -46.33 84.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.04 -37.74 69.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.921 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.64 -43.98 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.932 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -24.13 67.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.46 20.15 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.02 46.68 6.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.913 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -72.66 -53.45 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 75.22 110.885 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -77.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 -63.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.56 146.16 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.909 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.65 124.18 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 65.34 111.136 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.4 mt -111.82 131.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.159 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mtm -131.78 156.18 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.823 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -138.22 167.48 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.75 129.25 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.129 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.93 128.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.132 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.85 15.86 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 48.97 31.65 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.959 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -143.2 -41.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.65 127.11 45.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.839 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.44 131.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 73.51 111.118 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.09 165.56 21.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 51.41 111.104 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.08 138.34 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.15 111.118 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -106.97 -50.4 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.6 m -161.26 108.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.6 mt -107.95 142.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.137 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.27 -169.71 33.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 73.51 112.453 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -179.85 56.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 74.01 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 63.38 25.76 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.51 16.57 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 71.34 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.65 130.2 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 75.01 111.127 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.87 168.64 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 53.31 110.904 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -32.04 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.853 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -47.01 87.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.849 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -72.31 -31.15 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -63.4 -50.48 69.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.1 -38.92 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.102 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -40.64 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.897 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.99 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.074 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -66.39 143.5 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.151 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.38 147.6 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -87.85 91.31 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.19 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.76 154.59 94.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 72.43 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.37 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 74.54 112.353 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -154.92 145.05 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.865 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -128.92 139.01 52.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.891 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.29 120.09 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.055 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.0 113.24 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 74.33 111.094 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -116.49 140.57 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.56 124.97 35.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.835 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -124.38 174.74 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.888 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 74.02 110.892 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 75.03 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -113.79 134.15 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -144.43 121.88 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.73 136.0 39.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 mp -116.48 148.77 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.13 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.32 120.29 29.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -107.96 118.91 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.1 111.095 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -101.19 138.56 38.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 53.32 110.848 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.29 115.54 29.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.875 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -157.53 80.38 3.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 74.11 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.64 23.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.738 2.292 . . . . 64.12 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.03 -23.12 53.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.02 13.37 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 54.34 110.853 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 -107.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 74.21 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.25 159.09 73.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 73.35 111.111 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -47.81 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 65.43 112.315 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -67.86 -44.17 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.878 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.9 p -62.54 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.119 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -58.46 -48.41 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.921 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -30.43 65.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 75.55 110.838 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.84 -48.78 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 62.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -33.89 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.11 110.948 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.4 p -79.2 -28.36 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 65.43 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.59 65.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.895 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 p -111.69 17.25 20.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.857 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -66.33 -44.32 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 110.835 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -66.44 -33.12 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.899 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.64 -31.35 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.54 111.099 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.49 -22.25 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 75.34 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.559 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.07 -55.46 27.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 72.44 111.136 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.72 -34.95 13.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 75.35 112.346 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.36 -32.36 73.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 63.41 110.931 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.7 p -106.77 46.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.17 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.39 122.49 29.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.12 -46.84 1.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 74.25 112.488 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -71.09 133.11 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.14 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.11 91.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.78 114.8 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 75.21 112.438 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.49 138.53 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 73.3 111.134 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.15 116.76 32.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.25 129.61 14.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.148 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.82 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.865 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.64 -163.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.848 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.33 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.163 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -23.27 62.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.87 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.0 67.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 74.21 112.531 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.73 25.92 11.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 75.52 110.929 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -71.4 101.6 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.84 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -56.34 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.52 -35.93 70.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -67.49 -43.43 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.6 mm -63.09 -47.17 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 74.35 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.31 -35.52 80.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -69.47 -48.17 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.883 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -68.04 -38.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 73.01 111.112 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -21.76 55.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.5 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 61.51 29.99 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.852 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.791 0.329 . . . . 61.42 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.92 137.05 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.871 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.0 p -74.47 123.66 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.3 111.086 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 149.37 50.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.106 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.47 -34.09 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.61 -40.08 82.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.843 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 m -66.85 -45.03 79.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.79 -49.31 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.169 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.11 111.153 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.59 86.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 65.44 111.092 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.78 -41.32 78.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -45.98 85.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -37.0 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -36.83 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -63.28 -24.56 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.94 20.38 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.31 46.54 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.852 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.09 -40.1 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -78.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.875 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.57 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.3 136.38 24.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.54 128.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.131 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 mm -107.52 128.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.45 111.122 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 154.8 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -139.71 162.61 34.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.1 mt -85.83 127.4 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.091 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.14 128.26 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.131 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 62.25 16.21 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.932 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.66 31.7 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.954 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -40.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.23 110.903 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.01 127.23 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.893 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -80.58 131.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 70.23 111.158 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.37 165.71 23.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.24 111.075 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.36 138.57 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.21 111.167 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.58 -49.31 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.45 110.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -160.94 109.67 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 tt -95.61 147.74 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.14 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.26 -92.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 75.44 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.29 53.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 74.35 110.894 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 51.64 29.84 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.908 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.98 -32.62 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 73.24 112.531 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.97 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 72.14 111.124 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.08 173.37 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 64.32 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -69.89 -34.08 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.839 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.7 -47.87 81.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.77 -31.03 64.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.44 -48.82 73.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.51 -41.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 74.11 111.117 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.39 -40.17 85.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.866 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.05 -54.03 8.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.35 124.9 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.098 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.34 -170.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.31 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 66.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.23 -63.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.902 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -80.99 152.79 71.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 74.34 111.133 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.4 21.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 64.15 112.32 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.5 m -147.21 142.29 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.53 110.885 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -122.54 130.23 52.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.92 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.44 121.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 73.54 111.12 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.85 110.12 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.151 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -113.56 127.39 56.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.14 124.39 39.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.06 111.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 73.54 110.895 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.853 0.359 . . . . 75.45 110.851 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.21 134.59 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.874 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 121.81 32.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.93 132.84 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.913 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.23 148.31 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.106 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -125.11 119.92 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.93 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.05 127.2 74.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.102 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 128.96 53.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.11 110.84 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -111.62 114.78 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 178.33 129.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 74.24 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.89 24.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 74.21 112.355 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.98 -25.1 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.88 13.77 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.851 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.48 -98.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 71.33 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.25 159.66 66.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 75.03 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -38.94 7.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 75.15 112.374 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -63.63 -45.24 91.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.4 t -70.52 -37.46 74.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 54.12 111.159 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -48.39 80.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.874 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -46.82 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.895 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 mt -55.1 -30.53 59.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.04 -33.83 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.53 110.895 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -91.33 -30.75 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.873 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -67.19 -42.5 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 61.22 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.3 p -83.32 -20.61 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.33 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.8 95.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.914 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.35 -23.6 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.82 -17.33 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 62.25 110.956 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.562 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -60.83 -55.47 44.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.651 0.739 . . . . 73.51 111.098 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 -36.09 11.5 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 75.14 112.362 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -47.52 66.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.05 110.91 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.7 p -111.43 49.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.15 111.166 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.26 138.92 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.963 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.88 10.11 57.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.79 -0.719 . . . . 73.32 112.477 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -123.78 120.08 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 74.21 110.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -51.94 103.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.25 119.53 6.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.34 112.471 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.38 138.59 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 73.24 111.172 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -107.01 124.11 49.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.44 129.34 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -97.84 156.94 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.07 -163.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.854 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.31 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.154 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -59.7 -23.49 63.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.64 28.82 13.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 55.34 112.487 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 78.5 mt -141.07 20.99 2.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.346 . . . . 75.34 110.922 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -85.92 96.04 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.832 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.34 -38.19 65.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -57.49 -33.02 67.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -41.88 81.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.09 -47.08 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 75.34 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.4 p -62.57 -39.51 93.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.866 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -69.07 -37.12 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.43 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -48.35 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.899 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.83 -37.93 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 60.03 111.137 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.28 -34.21 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.916 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.73 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.82 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 53.24 42.41 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.14 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.816 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 63.43 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.81 137.25 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 64.04 110.89 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.14 127.81 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.42 111.131 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 149.38 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.42 111.156 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.39 -36.96 62.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 73.33 110.821 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -36.88 71.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.887 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.78 -45.11 72.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.33 -51.9 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.35 111.132 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -62.4 -42.49 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.142 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.96 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.069 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.15 -41.96 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 63.34 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -46.18 83.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.78 -37.13 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.22 -36.78 76.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.955 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -62.93 -24.55 67.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.885 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -101.4 20.3 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 62.02 46.7 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.933 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -72.88 -38.54 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.01 110.898 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.55 -79.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 179.0 -67.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.86 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -143.72 144.65 31.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.953 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.99 116.03 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.53 111.153 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -104.54 136.82 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.151 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.91 155.96 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 73.42 110.899 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.29 163.97 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.851 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.3 mt -87.01 129.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.112 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.67 128.35 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.75 15.91 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.868 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 48.67 32.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.916 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.34 -40.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.896 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.7 127.32 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.884 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.85 131.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.111 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.44 161.85 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 63.55 111.085 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.82 138.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.075 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -110.83 -57.19 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.35 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.6 p -149.36 99.32 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 71.53 111.157 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.0 tt -96.08 140.84 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.55 111.157 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.97 -171.83 22.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 65.43 112.487 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -158.82 -49.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 70.31 110.874 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 177.73 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.67 -15.99 1.08 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 74.24 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.59 95.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 72.12 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -71.49 177.57 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.887 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -69.56 -29.09 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.07 -47.27 85.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 65.44 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.82 -31.79 68.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.39 -51.75 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.886 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 tt -70.35 -35.51 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.54 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.29 -53.91 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 73.24 111.08 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.6 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.107 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -136.09 114.55 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.43 110.872 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 105.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 179.91 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.947 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -81.59 154.7 71.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 63.14 111.151 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 110.58 2.58 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 75.34 112.37 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.9 m -130.27 151.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.92 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.85 130.03 46.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.915 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.28 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.54 115.31 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 51.12 111.125 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.47 127.25 55.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.943 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 119.66 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -133.09 130.63 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.844 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 73.34 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.34 134.56 49.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -132.7 133.84 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.887 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mp -108.5 129.51 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.93 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.4 mp -115.12 152.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.35 111.116 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.58 120.77 31.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.01 128.97 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.5 111.175 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.7 t -130.03 139.15 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -106.56 115.22 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -151.81 90.33 3.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 72.14 110.949 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.65 23.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 73.13 112.377 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -57.89 -25.2 60.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 p -94.47 12.99 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 62.13 110.808 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -88.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 55.25 112.471 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.89 150.64 43.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 74.43 111.114 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.99 9.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.711 2.274 . . . . 70.4 112.327 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -67.84 -36.0 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.3 m -68.05 -46.08 72.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.138 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.62 -39.17 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.925 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -48.26 49.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.838 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.94 -29.94 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 70.12 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.58 -49.02 78.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.929 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -29.47 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.837 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.9 m -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 75.52 110.843 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.25 -23.49 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -65.19 -39.49 92.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -62.13 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.91 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -22.85 44.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.51 111.119 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.43 -22.93 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.21 -55.55 38.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 63.14 111.103 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.78 -34.79 13.81 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 73.14 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -41.13 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.35 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.4 p -101.6 61.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.135 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 125.24 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.05 110.933 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.02 53.23 19.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 63.21 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.61 158.23 38.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 75.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -102.43 82.9 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 75.4 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.36 116.51 4.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 72.13 112.465 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.45 132.53 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 74.43 111.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.82 116.86 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.81 142.79 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.42 111.122 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -97.65 155.99 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 64.2 -160.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.879 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.29 -26.02 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.5 m -59.88 -24.97 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.848 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.12 42.48 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 74.02 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.33 32.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 73.3 110.894 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -89.33 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.857 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.03 -47.67 64.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.926 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.48 -33.43 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 75.02 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.79 -40.59 79.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.05 -47.03 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.13 111.121 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -64.48 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.858 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -38.0 79.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 75.21 110.855 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -48.68 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.07 -37.85 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 73.13 111.132 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -71.56 -32.34 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.8 t -82.0 -31.19 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.864 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.83 47.23 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 72.11 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 137.76 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.826 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.31 125.99 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.15 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.8 160.73 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.062 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.19 -39.98 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.9 -41.13 81.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -66.09 -44.91 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.932 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.64 -46.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.108 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -65.03 -42.38 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -46.39 85.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.43 111.147 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.69 -40.24 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.02 -45.81 86.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.12 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.72 -37.08 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -57.98 -44.64 87.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.93 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -24.16 67.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.884 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.66 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.858 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 46.63 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 75.41 110.915 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.896 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -76.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.841 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.94 -64.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.03 148.39 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.923 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.95 122.6 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.21 111.109 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.89 129.94 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 75.15 111.16 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -131.04 152.99 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 62.3 110.886 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -133.31 163.76 28.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -85.71 124.73 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 62.02 111.155 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.06 139.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.108 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLN . 18.9 t0 56.64 23.22 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' ASP . 16.8 pt20 38.34 47.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.921 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -165.23 -38.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -122.96 127.07 48.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.833 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.8 mt -82.11 131.17 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 74.21 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.32 165.32 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 70.25 111.083 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.01 135.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.02 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -50.61 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 m -160.66 105.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.45 111.139 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.4 tt -95.89 147.6 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.34 179.74 21.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.526 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.06 71.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 65.13 110.867 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 52.27 33.75 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.56 -39.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 74.43 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.78 107.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 72.52 111.067 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -71.72 162.66 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 65.22 110.872 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.24 -46.54 89.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 54.34 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.76 -31.51 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.41 110.912 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.97 -46.53 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.8 mm -71.05 -44.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 70.33 111.122 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -59.41 -40.49 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.908 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.36 -53.22 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.11 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.3 tt -68.85 146.9 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.176 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.48 118.05 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.868 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -69.35 90.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.961 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -179.33 -74.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -59.65 155.28 40.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 73.32 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 87.08 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 75.03 112.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.96 156.12 20.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.854 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -128.76 130.19 46.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.881 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.2 126.27 53.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 75.34 111.122 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.52 136.07 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -137.44 127.58 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.895 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.08 125.55 40.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 65.4 110.836 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -139.16 135.85 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.827 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.15 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.777 0.322 . . . . 75.11 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.53 134.61 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.851 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 134.19 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.878 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.81 133.0 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.919 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.84 160.52 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 70.15 111.128 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -135.54 125.98 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 71.33 110.911 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.04 129.8 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.53 111.094 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.41 138.36 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.832 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -102.86 115.07 29.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.944 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.13 92.27 1.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 72.13 110.866 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 139.43 40.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 74.44 112.33 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.56 -22.93 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -102.53 13.64 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 61.54 110.865 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.53 -89.67 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 51.45 112.466 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.79 152.14 51.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 71.32 111.084 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.69 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 72.23 112.314 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.45 110.889 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 p -63.41 -45.84 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.5 111.177 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -57.79 -44.91 86.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -42.7 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.901 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.04 -29.52 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.902 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -58.63 -49.14 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.928 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -26.59 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.2 110.861 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 t -67.35 -21.93 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 63.33 110.858 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.29 -19.38 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.86 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 73.53 110.835 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.14 -36.34 82.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.9 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.25 -22.97 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -25.98 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.02 -55.6 29.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 74.31 111.102 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.78 -30.45 22.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 62.44 112.374 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -34.29 77.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 64.22 110.939 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.9 p -126.61 64.77 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 71.21 111.109 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.53 122.4 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.83 7.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 60.45 112.493 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.31 158.34 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 73.34 110.871 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.87 89.89 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.97 113.35 4.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 72.34 112.494 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.44 138.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 73.1 111.127 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.04 118.72 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.92 129.45 14.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 64.1 111.095 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -98.76 157.51 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.842 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.3 -163.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.84 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.21 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.14 111.157 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -23.31 63.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.71 16.38 43.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 75.24 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.01 23.69 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 75.11 110.896 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.31 95.97 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.844 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -52.07 -41.1 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.887 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.6 -31.8 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.71 -44.28 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.19 -47.17 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 75.12 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.1 p -62.81 -40.12 96.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 61.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -36.13 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.21 110.851 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -67.29 -48.39 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.883 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.99 -37.92 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.53 111.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -66.76 -28.4 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.939 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.8 t -88.25 -31.36 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 56.26 30.56 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 73.42 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.361 . . . . 73.04 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.62 33.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.846 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.39 122.28 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.182 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.07 156.13 28.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.085 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -53.48 -29.8 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.31 -41.85 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.912 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -45.13 80.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 64.53 110.862 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.69 -45.72 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 62.54 111.174 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -65.87 -43.12 89.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.098 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.36 87.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 55.52 111.11 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.0 -41.19 78.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.927 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -45.99 84.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.907 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.63 -37.97 70.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.01 -36.89 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -24.6 67.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.86 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -96.86 17.6 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 62.12 46.87 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.921 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -32.65 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.886 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -155.69 -84.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.861 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -153.14 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -144.57 155.68 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.905 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.87 124.47 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.136 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.34 124.25 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 75.14 111.131 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.21 155.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.89 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -137.22 168.27 19.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mt -85.72 126.44 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.123 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.46 129.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.112 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 62.36 16.14 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.865 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 48.81 31.4 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.933 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.01 -41.33 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.893 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.93 126.89 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.34 110.86 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.1 mt -80.66 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 72.44 111.127 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 159.21 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 73.45 111.089 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.3 m -77.11 138.35 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.31 111.143 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -44.39 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.891 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -161.46 119.62 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.126 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.7 pt -101.32 147.75 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.118 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.35 133.74 11.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 62.42 112.486 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 32' ' ' SER . 33.8 mt-10 -121.67 45.68 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 74.13 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 63.04 16.34 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.83 6.29 3.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 63.23 112.503 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.42 112.62 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 70.05 111.15 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 164.15 26.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -69.36 -41.05 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -46.94 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 54.15 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -70.15 -31.48 69.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.06 -47.53 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -35.61 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 65.15 111.135 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.79 -40.75 96.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.98 -51.44 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.79 132.77 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 74.31 111.102 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.51 117.36 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.08 90.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -179.33 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 74.24 110.912 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 m -64.53 154.71 83.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 72.23 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.91 5.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 74.14 112.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.7 m -140.67 149.71 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.16 131.46 47.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.919 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 126.76 47.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.35 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.79 127.55 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -115.3 127.46 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.878 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.09 120.55 39.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -117.73 119.14 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.842 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 72.54 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -145.19 134.55 23.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 44.11 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 140.58 46.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.884 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.93 132.12 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mm -114.93 148.25 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.59 120.12 26.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.945 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.49 122.25 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.145 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.4 133.79 45.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 74.33 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -99.17 115.51 29.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.957 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.77 86.44 1.09 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 75.4 110.898 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 132.4 23.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 75.31 112.368 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -58.11 -25.03 60.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -98.73 13.25 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.865 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.36 -110.75 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 71.2 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.08 160.04 63.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 72.31 111.117 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 72.54 112.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.82 -35.77 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.1 p -64.59 -45.57 86.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 64.44 111.128 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -68.23 -37.77 81.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.3 tpt -70.06 -48.03 59.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.38 -30.16 62.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.96 -41.73 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -77.44 -39.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -66.02 -25.14 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 62.22 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 t -100.56 -20.57 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 63.13 110.889 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -39.23 89.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.87 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -41.27 99.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.866 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -24.45 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.49 -24.9 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.9 -55.41 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 74.21 111.109 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.43 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 75.41 112.394 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.62 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.946 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.2 p -129.94 51.83 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.116 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -85.38 123.34 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.898 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.06 8.36 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 54.31 112.465 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -123.86 141.55 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 75.12 110.913 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -62.66 94.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.42 112.96 4.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.455 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.1 mp -131.37 134.89 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 74.31 111.132 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 118.5 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 63.15 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.01 134.8 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.51 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.06 156.59 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.3 t0 63.14 -162.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.843 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.14 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.33 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -24.09 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.819 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.98 1.06 38.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 63.43 112.464 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.7 mt -114.3 23.58 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.41 110.934 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -86.55 97.82 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.841 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.34 -40.75 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.833 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -57.43 -33.96 68.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.39 -40.47 85.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.874 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.97 -47.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 74.22 111.144 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.6 m -61.9 -40.41 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -69.45 -36.44 76.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -64.66 -48.66 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.885 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.86 -37.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.154 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -70.66 -30.87 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.892 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.2 t -68.97 -36.95 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.857 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.23 28.99 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 71.32 110.9 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.841 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.871 0.367 . . . . 74.35 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.06 137.62 18.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 63.44 110.885 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.8 124.68 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.131 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.69 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 61.41 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -58.03 -36.76 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -41.86 81.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.917 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -64.1 -44.97 90.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.7 -51.85 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 64.42 111.08 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -59.67 -43.09 94.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 64.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.36 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 64.22 111.1 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -42.97 99.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.894 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.1 -45.85 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -41.53 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.892 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.46 -36.08 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.46 -25.44 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -100.3 20.3 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 60.44 46.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 74.14 110.884 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -32.67 71.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -76.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.843 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -175.91 -68.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.84 152.34 40.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -130.32 124.82 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.112 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mt -103.02 128.32 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 72.45 111.145 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -120.46 148.25 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -128.37 151.4 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.3 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -84.81 122.07 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.14 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.93 135.19 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.21 111.116 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.2 m-20 50.98 32.57 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 73.23 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.537 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 30.16 52.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.908 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -164.25 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.936 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -125.22 127.16 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 63.52 110.893 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.3 mt -81.69 131.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.175 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.6 157.26 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.31 111.103 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.06 133.55 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.114 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -102.24 -56.85 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.931 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -161.37 112.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.17 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 tt -96.25 144.69 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.54 111.128 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.97 -168.3 33.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 73.54 112.509 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -174.09 46.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 74.53 110.886 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.89 -61.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.924 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.6 -12.84 57.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.486 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.31 116.8 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.24 111.083 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -78.22 167.63 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.873 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -32.96 72.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.22 -46.98 84.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.98 -36.69 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.921 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.98 -48.06 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.24 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.61 -43.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 71.32 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.47 -37.86 79.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.888 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.26 -55.41 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 75.42 111.075 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.92 134.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 70.54 111.128 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -123.27 123.32 40.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -72.37 79.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.914 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -179.53 -57.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.42 153.08 61.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 72.02 111.098 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 115.26 4.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 73.13 112.327 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.8 p -140.38 141.97 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.41 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -129.17 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.945 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.69 133.22 56.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 72.3 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.6 127.37 56.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.31 120.15 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.55 110.864 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -121.56 166.68 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.854 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.919 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 74.54 110.835 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -138.49 135.41 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 136.59 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.881 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.53 134.36 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 75.22 110.923 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.77 150.64 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.22 111.092 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.03 119.01 33.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.921 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.8 130.06 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.129 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 138.44 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -120.78 114.84 22.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.899 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 178.96 140.35 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 70.44 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.5 23.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 75.31 112.35 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -20.42 65.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.31 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -108.74 13.84 24.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 -98.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 73.4 112.51 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.2 159.8 55.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 74.22 111.047 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.633 2.222 . . . . 75.03 112.338 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -68.29 -41.37 81.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 70.21 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.4 p -65.33 -43.99 89.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -57.89 -48.16 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.907 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -31.57 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.871 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -30.15 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.903 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 -39.54 21.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.811 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -28.13 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 65.05 110.842 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.7 p -99.34 -24.59 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.881 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -39.38 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -42.05 97.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.856 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.99 -22.99 44.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.116 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -24.79 31.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.89 -55.33 34.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 64.21 111.158 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.77 -33.13 17.18 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 54.14 112.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -45.59 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 p -109.74 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.101 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 122.49 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 75.12 110.959 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.56 29.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 60.1 112.467 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -128.87 157.09 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 53.1 110.88 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.65 137.58 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.94 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.78 120.53 4.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 54.52 112.566 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.41 136.11 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 74.45 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.76 126.86 53.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.51 131.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.087 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.76 156.02 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.26 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.27 13.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 55.53 111.122 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -23.23 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 60.54 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.28 31.56 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 73.43 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 15.4 mt -146.67 22.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 74.3 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.64 96.02 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -44.35 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.926 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.49 -33.27 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -40.98 83.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.883 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.8 mm -67.76 -47.18 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.25 111.11 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -39.74 94.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.31 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.11 77.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -65.06 -48.44 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.79 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.136 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.81 -35.69 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 71.1 110.859 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -68.09 -33.71 75.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.837 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 62.25 47.01 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.887 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.858 0.361 . . . . 74.35 111.116 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -142.98 137.56 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 p -73.53 122.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.106 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 155.42 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.105 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.31 -36.89 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.854 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.81 -37.76 74.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -68.7 -45.05 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 65.1 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.71 -52.25 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.179 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -62.86 -41.25 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.43 111.174 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.86 86.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.113 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.46 -41.57 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.07 -46.21 82.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.888 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -71.49 -41.28 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.851 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.93 -35.29 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.924 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.48 -24.9 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.84 19.1 15.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 70.14 110.847 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt 62.04 47.01 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.12 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.886 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 -78.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.843 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 179.17 -72.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.911 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.56 141.4 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.921 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.67 118.73 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 72.31 111.159 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 mt -108.52 137.04 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 75.53 111.148 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.99 156.08 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.852 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.22 165.12 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.851 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt -85.82 126.07 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.85 132.8 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.13 111.069 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER 51.18 33.95 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.898 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.545 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 29.43 54.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.924 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -164.6 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 127.33 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.86 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.3 mm -81.46 131.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 74.3 111.149 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.87 166.02 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.117 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.19 138.57 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 65.44 111.103 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -109.8 -56.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.1 p -150.04 101.05 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.142 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -96.62 139.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.197 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.46 -171.12 22.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 43.21 112.505 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.98 -51.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 64.42 110.895 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 179.1 33.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.12 21.09 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 73.04 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 99.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.32 111.097 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.59 170.66 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -69.42 -33.79 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.926 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.69 -47.03 87.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -68.52 -31.56 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.902 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -65.31 -50.03 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.89 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.68 -36.16 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.54 111.153 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -40.47 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.824 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.92 -52.09 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.094 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.4 tt -72.19 147.35 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.5 111.133 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.42 131.52 41.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 61.51 110.87 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 88.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.46 -74.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.45 110.904 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.94 152.41 95.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 74.23 111.123 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 72.01 112.337 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.1 p -174.7 148.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.99 134.32 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.91 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.75 116.52 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 74.02 111.079 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.65 109.52 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 64.54 111.102 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -113.44 141.17 47.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.35 110.877 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -91.74 124.43 35.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 60.34 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.45 174.37 7.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.902 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.901 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.842 0.354 . . . . 74.53 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -113.19 134.57 54.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.21 122.42 12.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.965 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.36 138.01 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 72.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.2 mp -119.21 148.98 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.54 111.13 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.92 119.9 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.55 110.927 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.7 mt -109.06 125.52 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.112 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.8 138.77 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.823 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.86 115.31 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.925 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -151.9 79.37 6.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 64.22 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.24 22.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 65.34 112.356 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.46 -21.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.845 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -104.0 13.67 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.811 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -103.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 52.42 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.2 159.94 47.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 73.31 111.105 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -38.17 8.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 75.41 112.355 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -68.09 -44.81 75.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.87 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.0 t -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.15 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -58.01 -48.29 80.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.22 110.898 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -38.86 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mp -55.06 -36.26 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.05 -42.23 89.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -38.61 58.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.828 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 -24.41 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.03 110.906 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -101.7 -19.95 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 60.04 110.857 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -63.2 -39.38 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.906 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.19 90.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.53 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.08 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.17 -22.28 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.94 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.11 -55.62 32.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 73.42 111.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 64.43 112.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -48.05 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.929 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -110.71 62.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.157 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -85.46 122.7 29.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.13 -41.08 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 75.1 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.04 135.43 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 70.11 110.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.22 96.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.887 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.41 114.85 4.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.478 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.49 138.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 73.53 111.132 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -105.48 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.77 132.68 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.097 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -100.78 155.91 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.867 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.84 -163.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.891 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.01 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.081 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -21.36 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.45 110.865 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.37 18.18 56.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 75.04 112.528 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.57 20.42 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 75.41 110.919 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.24 107.38 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.884 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 74.4 110.93 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.76 -37.76 85.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -67.1 -43.26 82.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.45 -47.17 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 73.13 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 52.11 110.84 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -66.1 -36.64 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -48.49 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.889 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.78 -37.84 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -61.31 -35.37 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.04 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.3 t -88.01 -26.39 22.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.85 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 56.28 26.41 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 72.2 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 74.1 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.95 137.55 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.84 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.99 128.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.148 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 160.74 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 70.43 111.091 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.25 -42.94 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.32 -34.43 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.89 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -71.67 -40.34 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 71.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -50.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.151 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -44.36 85.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.15 85.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.079 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.29 -41.05 77.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -57.91 -46.42 84.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.875 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.11 -36.87 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.12 -36.24 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.887 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -98.82 20.74 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 62.33 46.67 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -48.18 24.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 73.32 110.849 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.51 -79.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.844 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 177.2 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.889 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.38 136.8 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.904 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.02 126.01 65.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 63.31 111.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.0 mt -102.98 129.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.126 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -125.87 151.15 47.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.52 110.835 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -131.96 164.03 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.841 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.85 126.25 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.116 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.2 t -110.59 127.86 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.23 111.158 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.05 15.66 8.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.857 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 48.62 33.12 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.9 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -146.3 -40.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.25 110.86 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -123.25 127.42 48.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.833 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.4 mm -81.18 131.55 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.25 111.105 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.91 165.33 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.43 111.105 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.34 138.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.12 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 -49.24 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.913 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -161.64 112.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.43 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -95.6 147.8 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.38 -64.67 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.476 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 39.25 45.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 74.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 63.83 54.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.81 -38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.47 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 115.79 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 63.34 111.079 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.88 178.25 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -42.6 82.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.896 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -41.55 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.858 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -74.47 -31.0 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.52 110.92 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.01 -45.87 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.59 -44.13 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.3 111.158 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.63 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.11 -51.1 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 73.31 111.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.1 mm -72.51 124.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.145 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 165.99 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.81 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 98.2 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 71.41 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.88 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.48 154.3 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 73.54 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.36 3.06 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 75.51 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.9 139.51 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -128.85 131.67 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.945 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.63 127.2 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 60.12 111.15 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.95 110.87 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -116.26 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.848 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.66 129.35 41.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.22 165.3 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.881 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.912 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.745 0.307 . . . . 74.54 110.902 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -134.05 140.58 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 123.02 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.42 110.915 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 131.77 36.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 74.32 110.906 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.6 mm -119.9 148.73 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.096 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.39 119.92 36.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.903 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.37 127.37 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.34 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.72 136.63 46.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 117.25 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.64 151.38 0.54 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 71.43 110.914 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 131.83 22.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 72.44 112.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.92 -36.63 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.901 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.66 13.79 29.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 60.21 110.846 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.88 -89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 73.41 112.499 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.54 160.24 63.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.713 . . . . 73.33 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 75.05 112.34 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -68.23 -38.84 82.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.854 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 p -62.8 -45.83 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.129 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -48.34 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.857 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -30.6 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.11 110.844 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.97 -31.06 71.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.58 -48.82 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.829 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 t -56.52 -40.34 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 p -75.28 -26.26 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.887 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.83 -37.16 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.812 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.54 -29.04 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -23.36 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.934 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.565 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.47 -55.62 27.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 74.22 111.121 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.69 -33.08 17.56 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 73.04 112.349 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -42.35 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 65.45 110.912 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -112.49 65.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 72.51 111.113 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.49 122.52 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.15 110.936 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.33 -41.73 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 71.52 112.507 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.13 151.89 43.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 75.12 110.846 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.53 127.7 46.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.898 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -110.78 127.07 8.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 73.25 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.71 138.63 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 71.23 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.73 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.913 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.52 138.94 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 53.42 111.123 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.69 153.91 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.32 -161.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 63.22 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.87 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.22 111.126 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -23.63 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.84 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -116.14 29.2 7.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 70.42 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.2 mt -147.48 18.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 73.11 110.918 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.47 96.06 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -52.18 -39.79 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.44 110.844 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -67.61 -31.79 72.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.898 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.58 -47.48 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.32 -37.58 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.137 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.7 p -67.08 -43.06 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -34.3 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.88 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -67.26 -48.93 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.906 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.17 -37.28 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -61.0 -34.83 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.905 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.6 t -86.65 -35.41 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.13 110.839 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 54.25 61.94 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.847 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.51 110.868 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 74.04 111.119 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.81 140.76 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 73.45 110.848 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.16 126.0 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 75.43 111.109 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.21 154.73 27.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -34.09 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.885 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.4 -41.77 80.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.3 m -65.19 -44.39 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.64 -52.32 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 m -60.01 -45.17 93.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.157 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.59 76.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.55 -48.4 64.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.53 -35.85 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -48.33 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -45.47 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.937 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -66.53 -24.43 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.4 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.52 17.79 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.901 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 62.12 46.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.928 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -74.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -77.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.842 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.87 -65.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.915 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.9 153.45 41.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.912 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.17 124.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.124 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.28 135.84 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 73.44 111.079 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.25 156.07 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.889 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.71 167.96 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 73.13 110.875 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mt -85.7 121.0 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.161 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.23 130.7 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.13 16.11 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.84 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 48.47 31.44 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -142.13 -41.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -126.05 126.71 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -81.98 131.23 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 71.33 111.179 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.62 159.12 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.41 111.125 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.78 138.5 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.097 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -108.64 -41.18 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.894 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -161.19 101.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.183 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 tt -96.62 147.83 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.78 -172.52 24.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 64.2 112.481 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.92 58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 72.44 110.861 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 58.13 27.32 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.88 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.06 -39.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.531 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 115.95 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 72.2 111.079 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.12 161.12 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -69.39 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.7 -46.76 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -67.86 -37.14 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -59.2 -51.56 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.86 -36.1 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.12 -51.03 13.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.35 141.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.124 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -116.49 -172.11 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.862 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -128.44 86.09 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.03 110.891 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -173.86 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.898 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 m -88.46 154.44 51.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 63.24 111.155 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 115.27 4.02 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 71.45 112.319 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 t -124.73 148.38 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -126.13 129.96 50.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.901 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.26 126.23 53.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 73.11 111.098 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.78 113.8 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.55 111.124 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -111.25 126.75 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.926 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -91.96 118.8 31.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -121.87 105.65 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 65.4 110.85 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.91 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 72.23 110.863 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -140.57 134.58 30.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.881 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -132.35 121.75 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.3 130.46 40.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.86 148.91 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 75.23 111.112 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.37 119.62 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.22 127.11 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.01 111.112 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.41 121.76 42.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.829 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -103.31 113.29 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 t30 176.71 141.5 0.23 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.729 . . . . 73.02 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.41 23.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 75.43 112.331 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -21.23 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.83 14.24 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.841 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.69 -96.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 64.05 112.503 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.38 159.86 58.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 75.13 111.048 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -46.72 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 70.11 112.334 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -67.96 -32.61 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.0 p -72.2 -46.48 56.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.132 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 -35.11 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.89 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.58 -45.97 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.897 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.15 -30.03 58.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.956 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.51 -35.54 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -53.03 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.31 110.84 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -52.35 -42.1 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.816 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -79.29 -24.84 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -39.39 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 75.3 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.1 -43.32 95.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 -22.86 44.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mt -83.71 -21.27 32.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.34 110.873 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.557 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -56.7 -55.39 43.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 74.1 111.116 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.72 -35.7 12.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 74.42 112.343 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.37 -46.01 78.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 48.5 p -100.85 62.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.72 122.65 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.2 -24.66 29.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -81.68 137.39 35.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 75.42 110.922 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -78.16 103.79 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.69 101.66 2.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.669 -0.776 . . . . 72.33 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.64 138.62 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 73.01 111.138 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.18 122.65 46.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.23 127.39 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.097 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.76 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 63.71 -164.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.867 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.84 11.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m -58.93 -21.91 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.77 -18.23 58.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 63.42 112.472 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt -98.25 18.41 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 65.53 110.953 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -71.29 95.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.865 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.31 -42.79 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.893 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.57 -34.2 70.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.875 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.18 -40.04 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.93 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.33 -47.19 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.111 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 m -64.07 -38.23 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.69 -35.94 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.03 110.849 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -48.15 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.889 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -37.99 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.42 111.131 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.09 -35.71 80.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.915 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 m -69.0 -34.36 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 64.55 110.846 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 51.83 30.24 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.913 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 71.42 111.132 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.08 138.65 30.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.4 129.68 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.113 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 157.53 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.23 111.072 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.97 -36.89 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.868 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.38 -44.18 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.94 -45.38 93.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.42 -44.03 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.137 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.7 m -63.32 -46.88 84.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.01 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.74 86.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 72.44 111.101 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.99 -32.47 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.926 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.76 -46.3 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 70.34 110.917 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.53 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.897 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -34.61 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -62.99 -24.54 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.839 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 11.16 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 33.2 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 71.5 110.91 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 p -65.85 -94.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.871 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -143.78 144.12 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 61.45 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.0 t -130.47 117.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.24 111.126 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -102.98 130.22 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.42 111.128 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.3 156.04 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.885 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.59 168.61 18.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.67 127.19 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.147 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.9 t -108.55 128.08 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 64.33 111.152 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.0 16.49 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 48.76 31.23 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 64.1 110.932 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -141.66 -41.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.936 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.36 126.87 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -80.44 131.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.34 111.177 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.34 49.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 63.52 111.093 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.29 138.2 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.52 111.11 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -102.38 -42.44 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.943 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -162.78 108.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 73.13 111.163 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.2 tt -100.43 133.36 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 74.21 111.135 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.57 -151.88 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 72.02 112.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -179.63 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.4 110.931 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -148.09 -41.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.6 86.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.462 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.58 135.5 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 74.35 111.118 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.47 150.65 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.23 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -46.99 82.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.47 -35.4 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.856 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.83 -51.59 68.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.85 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.72 -32.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 51.41 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.01 -49.72 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 65.02 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.26 124.32 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.147 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.72 172.11 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 52.52 110.849 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -111.85 86.58 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -179.23 -67.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.862 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 m -82.62 154.44 68.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 74.21 111.11 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 124.28 10.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 73.45 112.368 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.33 139.14 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -130.14 140.81 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.956 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.87 136.42 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.136 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.59 120.03 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.46 130.91 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 121.34 43.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.874 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -120.95 115.43 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 71.23 110.877 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.886 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.813 0.34 . . . . 74.44 110.868 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.19 142.71 29.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 139.76 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.896 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mp -108.59 134.94 50.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -123.36 149.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.125 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 tp -119.0 119.44 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.966 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.53 127.35 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.122 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 138.54 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 62.1 110.833 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -117.54 113.92 22.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.915 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 176.08 144.26 0.24 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 74.54 110.862 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 71.43 112.342 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.89 -21.47 66.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.19 14.48 24.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.889 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.32 -103.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 64.21 112.514 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.73 160.34 42.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 74.45 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.48 6.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 72.45 112.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.77 -37.07 81.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.03 110.831 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.0 m -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 63.53 111.099 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -41.0 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.919 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.1 mtt -69.2 -47.55 64.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.866 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.08 -31.9 61.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.13 -33.97 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 64.51 110.925 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -91.95 -40.09 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -42.54 99.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.21 110.837 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.4 t -79.98 -25.7 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -56.04 -39.28 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.921 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.85 95.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.844 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -24.25 43.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.68 -22.78 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.29 -55.34 38.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 64.43 111.141 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.74 -34.96 13.6 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 74.25 112.372 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -39.43 88.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.944 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.4 p -130.37 63.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.21 111.155 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.38 135.41 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.9 2.28 23.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.19 158.11 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 74.33 110.887 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -100.35 121.57 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.917 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.57 120.43 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 63.02 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.49 120.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.21 111.158 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.499 ' NE2' ' H ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -84.79 136.63 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.906 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.84 128.07 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.079 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -97.59 161.86 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.04 -163.83 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.79 -26.21 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.22 111.067 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -20.34 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.856 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.68 9.09 72.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 71.12 112.5 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.8 mt -137.54 18.44 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 70.04 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.08 96.09 5.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.883 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -54.24 -40.14 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.52 -32.94 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.922 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -40.63 80.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.56 -47.16 81.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.135 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -37.94 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.876 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.42 -38.1 77.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 74.13 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -48.55 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.895 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.97 -37.85 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.107 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -35.2 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.9 m -80.22 -33.26 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.31 110.846 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 52.15 30.49 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 75.23 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.99 139.52 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.841 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.23 126.09 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.23 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.26 160.75 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.32 111.131 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -28.45 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.12 110.833 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.38 -44.84 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.23 -42.96 96.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 64.43 110.889 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.59 -48.37 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.3 m -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.11 111.085 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 55.14 111.107 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.72 -39.92 84.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -45.9 86.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -71.53 -38.05 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 tp -57.41 -44.4 84.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.911 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -63.71 -24.08 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.837 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.22 19.05 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.04 110.887 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.1 46.62 6.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.64 -43.57 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.907 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.92 -76.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.84 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.86 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -145.33 155.38 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.909 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.73 127.53 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 70.35 111.108 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.51 122.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.089 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -110.27 147.07 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.32 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -128.37 148.28 50.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.806 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -85.21 119.89 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.168 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.78 132.84 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.43 111.136 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.29 24.5 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.83 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 39.43 40.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.968 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -149.23 -40.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.51 126.8 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.833 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.0 mt -84.21 131.09 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 72.01 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 154.2 47.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.3 111.105 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.21 136.41 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 75.24 111.113 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -47.19 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.947 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.0 m -161.37 109.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.13 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 tt -96.7 147.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.44 111.147 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.88 -178.79 30.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 53.13 112.467 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.93 122.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 62.23 110.933 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 33.62 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 72.15 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.96 74.34 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.13 163.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 75.14 111.058 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.26 150.73 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -41.76 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.868 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.72 -36.97 85.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.818 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -46.47 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.35 -48.46 81.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.87 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -41.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 75.54 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.94 -38.7 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.04 110.871 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.94 -55.47 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.11 111.106 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -66.87 142.18 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.129 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.13 169.41 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.852 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -115.85 82.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.41 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 69' ' ' PRO . 12.7 m -80.02 153.12 74.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.54 111.098 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 68' ' ' VAL . 54.0 Cg_endo -69.73 100.72 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 75.12 112.356 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -113.23 140.79 47.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.93 129.61 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.905 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.28 116.92 29.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.4 111.154 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.48 110.41 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.109 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -111.39 130.35 55.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 74.05 110.883 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.7 122.23 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.864 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.17 111.31 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.888 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.852 0.358 . . . . 73.3 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -134.69 134.56 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.918 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -137.33 129.15 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.84 132.03 45.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 70.54 110.939 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.96 148.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.35 111.12 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.36 118.9 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.95 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.24 130.52 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.092 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -101.35 128.21 47.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 54.43 110.861 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -113.92 114.2 25.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.908 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.05 153.35 0.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 75.42 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.74 21.91 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.246 . . . . 73.22 112.344 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.08 -40.6 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.14 13.9 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.82 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.73 -90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 54.14 112.482 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.95 66.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 72.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.02 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 72.22 112.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -67.91 -39.43 83.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.9 p -66.11 -38.88 89.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 65.13 111.118 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -68.1 -48.25 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 71.22 110.9 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.24 67.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.882 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.7 mt -54.98 -29.87 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.15 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.82 -47.51 71.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 73.3 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -45.14 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.849 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.7 m -56.19 -25.28 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.883 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -22.55 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.852 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -56.21 -39.35 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -43.65 92.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -22.9 44.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.098 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.57 -19.47 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.916 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -58.9 -55.43 46.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.23 111.107 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.48 12.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 62.32 112.36 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.84 -47.72 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 28.8 p -101.78 50.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 122.59 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 106.47 -42.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.476 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.56 158.12 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 74.45 110.899 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -104.23 140.35 37.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.921 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.01 112.01 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 65.31 112.432 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.0 pt -114.92 134.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 73.41 111.124 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.99 121.72 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.924 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.29 133.38 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 72.13 111.129 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.7 155.83 16.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.06 -163.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.1 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.15 111.061 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -23.02 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.52 110.892 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -109.78 25.4 17.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 61.45 112.469 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.8 mt -144.08 23.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 75.44 110.9 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.03 105.84 18.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 73.15 110.885 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -52.1 -45.53 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.892 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.69 -32.14 67.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -41.04 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.901 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.52 -47.14 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 74.11 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -62.03 -40.56 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.83 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.84 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -64.42 -48.67 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.03 -37.81 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.136 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -65.0 -34.19 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.874 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -83.86 -30.9 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 40.98 40.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.848 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.01 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 63.25 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.23 -59.5 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.45 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.6 mtm 57.41 90.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 72.5 110.918 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -128.33 -47.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 65.44 110.853 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.75 -32.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 73.15 112.487 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -51.25 120.67 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 73.15 111.11 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.46 147.17 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.838 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.32 122.92 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 73.53 111.155 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 160.75 31.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 54.5 111.102 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -56.62 -39.65 74.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.26 -41.48 79.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.9 -45.09 83.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.87 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.59 -39.86 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.104 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -70.48 -40.98 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.145 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.19 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 64.15 111.054 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 pp -69.18 -38.58 78.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.918 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -57.62 -46.99 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.6 -38.01 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tp -57.9 -36.07 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.902 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.74 -24.73 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.859 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 18.4 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.88 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 46.81 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.13 110.896 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.29 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 71.22 110.933 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.78 -77.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -174.45 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -144.37 154.86 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.95 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.0 p -131.01 129.76 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 71.3 111.084 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 22.1 mt -114.59 123.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.158 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.83 156.1 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.844 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -132.15 166.81 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.7 mt -85.72 128.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 74.12 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.4 128.11 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.11 111.14 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.04 16.46 8.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.34 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 48.84 31.99 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.895 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.13 -41.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.44 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.92 126.9 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.849 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -82.88 131.6 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 75.01 111.13 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.98 156.85 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 65.45 111.072 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.27 138.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.131 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -105.4 -43.7 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.32 110.921 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 m -161.91 122.42 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 tt -98.65 146.9 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.11 111.146 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.19 -148.2 17.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 64.44 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.53 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 72.24 110.838 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -173.8 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.78 70.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 75.11 112.499 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.15 158.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 73.42 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.4 151.1 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 60.04 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.62 -33.9 76.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.68 -47.36 72.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.848 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.75 -36.74 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.907 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.99 -49.49 75.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.5 mm -71.58 -38.94 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 75.4 111.139 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.26 -40.55 86.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -53.23 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 73.31 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.9 mm -66.22 143.72 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 65.44 111.106 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.19 111.1 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -66.85 89.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.43 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.19 -72.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.3 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.18 154.39 95.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.693 . . . . 75.11 111.192 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 116.04 4.38 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.676 2.251 . . . . 72.03 112.358 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.9 m -132.58 155.85 47.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 72.23 110.873 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -128.95 130.3 46.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.91 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.27 123.74 40.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 61.14 111.069 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.14 131.61 53.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 75.3 111.103 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -124.13 127.38 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.82 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -97.35 124.11 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 63.32 110.819 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -135.74 132.98 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -87.91 147.38 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 64.21 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.03 176.09 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.924 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -119.88 50.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 75.14 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 t -77.26 -40.82 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 61.22 111.16 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -78.82 -35.75 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 70.15 110.907 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 176.61 -42.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 64.51 110.845 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.27 -79.15 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 73.25 112.479 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 73.01 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.256 . . . . 71.45 112.371 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.26 149.28 42.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.925 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -132.02 134.65 45.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 72.02 110.889 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 129.61 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.909 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.6 137.81 45.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 73.01 110.937 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.9 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.22 111.123 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.93 119.84 31.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.959 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.6 mt -113.54 122.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.146 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t -101.16 138.51 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 61.31 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -99.84 123.53 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.895 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -173.49 85.12 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 55.31 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.648 2.232 . . . . 74.24 112.353 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.11 -24.44 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -99.09 13.47 32.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.874 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.27 -111.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 74.22 112.475 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.82 159.94 61.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 73.44 111.132 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -47.87 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.4 112.322 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -64.21 -35.59 81.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.844 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.6 p -63.94 -45.48 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 54.35 111.18 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -36.09 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.907 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.34 -46.82 59.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.31 110.897 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.11 -30.05 58.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 71.24 110.92 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.17 -42.99 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -35.35 62.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.856 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 t -67.39 -25.94 66.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 65.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.99 -25.24 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 72.45 110.867 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -39.33 76.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 75.24 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -42.74 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.871 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.09 -23.03 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 mt -83.63 -22.06 32.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.567 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.84 -55.34 42.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 64.04 111.124 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.269 . . . . 74.33 112.329 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.38 -47.74 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.898 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.5 p -96.21 62.54 2.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.153 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.12 122.6 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 18.66 41.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 74.42 112.468 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -129.34 131.2 46.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 74.31 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -68.23 104.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 75.45 110.93 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -97.29 117.43 5.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 73.31 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.42 138.58 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 74.31 111.107 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.85 116.85 30.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.15 128.48 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 62.35 111.132 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.98 160.05 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.54 -164.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.54 -26.48 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 64.32 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -24.63 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 70.03 110.859 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.87 -23.17 23.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.442 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.4 mt -105.97 24.61 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.11 110.913 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.99 97.2 4.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 71.43 110.876 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -51.8 -38.64 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.905 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.54 -36.9 81.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.54 110.843 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -37.53 80.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.0 mt -68.27 -46.98 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 73.1 111.145 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.77 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.64 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.847 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -67.68 -48.7 65.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.858 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.97 -37.85 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.12 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -65.49 -33.74 76.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 74.44 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 t -84.35 -34.0 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.818 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.87 55.58 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.911 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.86 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.79 0.329 . . . . 75.24 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.76 -65.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.087 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mmt -53.49 146.21 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 70.35 110.904 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.77 -60.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.839 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.42 -32.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 64.45 112.495 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p -50.86 120.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 64.52 111.103 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.66 152.73 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 p -73.35 122.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 62.5 111.096 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 160.72 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.118 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -55.26 -35.26 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.48 -45.08 85.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.72 -44.05 94.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.858 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.7 -44.3 89.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.54 111.094 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -66.27 -43.42 86.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.54 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.16 -39.64 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.42 110.945 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -58.15 -45.91 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 73.31 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -37.13 70.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.05 110.806 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tp -58.62 -42.9 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.944 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -23.85 67.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.908 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.24 20.62 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 mttt 62.53 46.62 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.854 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -57.62 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 74.5 110.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.34 -76.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -76.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 74.32 110.889 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -145.53 155.3 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.45 110.949 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.2 m -131.94 128.83 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 75.02 111.108 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.3 mt -108.05 135.27 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.118 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.31 156.11 49.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.877 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -131.71 168.03 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.896 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.7 mt -85.74 124.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.5 t -107.99 130.46 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 74.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.23 16.12 8.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 48.55 31.77 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.865 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -143.25 -41.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.98 126.74 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.856 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -81.19 131.62 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.43 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.88 160.35 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.11 111.094 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.41 138.23 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 64.23 111.111 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -108.27 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.889 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -162.99 121.89 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.22 111.132 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.7 pt -98.38 147.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.122 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.13 -58.76 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.546 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 64.61 84.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 72.43 110.903 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.22 18.74 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.863 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.25 76.1 1.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 74.24 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.0 166.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 62.53 111.115 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.94 156.11 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -32.49 73.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -68.01 -47.4 68.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.05 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -74.51 -34.98 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.919 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -64.39 -48.54 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mm -71.38 -43.23 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 75.03 111.156 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.17 -38.15 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.41 110.91 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -55.14 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 tt -67.24 143.46 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.45 111.129 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -145.91 99.74 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.867 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 103.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -179.6 -71.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.87 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.1 m -78.09 154.19 79.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 75.44 111.117 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 109.18 2.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 73.32 112.356 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 34.8 m -126.61 157.94 37.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -129.19 129.85 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.936 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.83 129.46 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 75.41 111.096 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.7 130.12 54.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 72.51 111.11 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -122.0 127.22 50.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.54 110.888 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.41 123.4 41.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.01 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -122.17 166.89 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.05 110.871 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -111.45 145.65 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -153.29 166.87 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.924 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 t -115.54 55.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.9 m -77.54 -49.32 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.32 111.103 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.6 -35.97 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 73.33 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.24 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.879 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.45 -76.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 61.24 112.524 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 73.93 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 72.32 112.359 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.11 149.44 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.94 134.66 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.04 129.88 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.45 133.9 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.42 110.878 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.84 148.68 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.23 111.117 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 119.69 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.32 110.887 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.09 122.25 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 75.04 111.136 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 p -101.37 137.65 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.858 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -99.82 115.39 29.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 74.45 110.95 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.95 88.72 1.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 71.13 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.42 23.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 73.32 112.361 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -22.67 52.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.85 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -101.82 13.65 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 72.01 110.858 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.49 -110.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 72.31 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.48 159.99 70.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 63.31 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -40.98 4.72 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 71.21 112.327 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -68.11 -32.6 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.869 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.9 p -68.53 -46.23 70.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.147 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.4 -38.22 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.917 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -48.0 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 73.3 110.846 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.08 -31.01 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.958 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -59.13 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.929 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -33.07 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.838 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 t -67.27 -25.41 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.882 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -101.5 -22.65 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -39.37 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -41.93 97.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.861 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.12 -23.02 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 75.03 111.13 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.4 -25.42 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.24 -55.45 31.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 74.12 111.11 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.72 -32.18 19.25 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.69 2.26 . . . . 73.12 112.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -47.99 71.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 75.21 110.938 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.1 p -103.12 63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.35 111.13 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.43 122.63 29.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.875 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.91 18.43 17.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 62.02 112.488 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -130.51 148.83 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.32 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 128.01 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.24 117.61 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 73.34 112.453 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 6.9 mm -128.44 120.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 64.52 111.086 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.14 115.76 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.871 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -149.03 136.1 19.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.094 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -102.06 155.08 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.42 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.82 -162.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 64.53 110.868 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -25.97 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 75.1 111.096 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -21.39 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.01 110.855 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -98.15 17.47 58.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.48 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.8 mt -141.4 25.58 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 73.14 110.947 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -77.72 115.72 17.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.905 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.67 -49.22 78.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -33.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.21 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.8 -40.32 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.888 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.0 mm -68.24 -47.08 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.11 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 m -62.58 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 75.23 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -69.56 -36.73 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -48.38 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.843 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.79 -37.83 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.118 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -65.86 -31.56 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 m -80.75 -40.51 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.872 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.1 t30 61.02 40.65 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 71.44 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.879 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.787 0.327 . . . . 75.21 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.26 34.23 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 64.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -171.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 54.32 110.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.43 106.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 74.01 110.818 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.19 26.8 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 75.32 112.483 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.4 p -51.66 136.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 74.21 111.157 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.88 137.93 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 71.43 110.854 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 p -73.32 122.18 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 73.3 111.085 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.26 158.21 27.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.48 -32.38 49.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.904 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.58 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 70.54 110.868 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.7 -51.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.117 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -63.48 -41.03 98.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.22 111.126 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.06 -45.15 87.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.087 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.07 -40.41 78.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -57.81 -45.97 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 -40.06 70.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.829 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.5 tp -55.4 -44.19 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.907 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -24.66 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.41 110.885 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.41 20.46 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.37 46.68 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -66.79 -59.11 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.843 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -78.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 53.33 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 178.72 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -138.67 138.47 37.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.89 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.1 t -130.65 115.29 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 74.05 111.138 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.98 137.07 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.54 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 156.33 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.881 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -135.5 161.5 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.9 mt -85.84 127.68 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.151 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -111.05 135.3 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 75.24 111.12 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.08 23.89 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.828 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 39.23 41.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.919 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -152.58 -40.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.25 126.92 46.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.859 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.23 131.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 73.31 111.152 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.39 160.05 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 73.44 111.112 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.71 137.04 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 74.22 111.086 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.1 -48.83 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -161.28 109.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.53 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -98.57 133.98 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.12 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.01 -178.15 31.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 62.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -179.34 70.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 75.33 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 51.77 73.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.867 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.63 -27.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 73.43 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.29 112.9 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 71.14 111.088 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.66 161.44 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.863 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -69.46 -36.96 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -46.77 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 72.23 110.85 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.01 83.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.901 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.03 -45.77 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 75.25 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -70.14 -40.66 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -40.56 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.46 -54.32 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.066 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 61.9 mt -66.91 146.1 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.119 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.1 110.45 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.89 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 101.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 179.52 -74.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.12 110.865 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.81 151.94 61.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 70.54 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 51.45 112.33 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.1 p -107.56 156.3 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.903 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.66 132.67 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.942 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.24 118.02 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 75.33 111.072 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.14 130.59 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -117.29 126.71 53.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.28 116.71 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -128.67 175.33 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.45 110.887 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.65 147.29 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.908 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.05 171.68 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.941 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -121.3 51.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 75.03 111.127 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.6 t -77.43 -40.92 41.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 71.41 111.121 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.72 -35.87 44.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.46 -41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 61.55 110.869 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.65 -79.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 74.13 112.527 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 72.26 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 65.13 112.346 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -119.74 149.3 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 134.69 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.84 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.04 126.46 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.907 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.48 135.65 48.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.908 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.0 mm -114.87 148.26 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.102 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.21 119.29 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.2 110.93 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.48 125.04 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.108 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.1 138.35 38.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 62.22 110.837 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -106.06 115.62 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.871 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -161.05 87.35 1.69 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.663 0.744 . . . . 73.54 110.911 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 132.77 24.13 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.265 . . . . 73.31 112.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -23.27 51.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.879 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 m -101.16 13.57 34.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.887 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.96 159.57 71.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 52.12 111.08 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 75.15 112.345 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -69.05 -33.03 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.918 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 20.4 p -73.84 -47.23 39.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 73.22 111.141 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -34.93 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.34 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -71.39 -47.99 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 73.15 110.891 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.76 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.31 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.22 -41.66 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.14 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 t -74.12 -41.51 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 75.42 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.62 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 64.33 110.819 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -96.9 -24.79 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.876 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -61.64 -40.48 95.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.905 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -42.83 97.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.805 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.96 -22.84 45.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.0 -24.26 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.89 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.91 -55.44 35.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 62.15 111.162 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.82 -33.17 16.91 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.677 2.252 . . . . 73.11 112.346 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -48.02 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.91 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -111.08 59.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 71.32 111.073 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -85.32 122.45 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.29 -42.66 1.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 65.21 112.463 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.1 151.12 44.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 72.35 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.71 105.41 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 75.3 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.07 113.8 4.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 73.52 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mp -131.5 136.37 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 74.1 111.093 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -107.57 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.86 133.87 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -97.97 157.22 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.88 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 72.12 110.84 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.19 12.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 64.11 111.07 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.04 110.892 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.78 18.78 39.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.725 . . . . 75.21 112.526 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 36.3 mt -140.06 25.96 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.326 . . . . 70.04 110.936 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.85 108.38 14.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 64.11 110.875 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -51.81 -45.76 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.45 -31.86 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.14 110.889 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.65 -42.46 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.43 110.877 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.9 -47.26 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -40.85 95.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.31 110.84 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.56 -36.56 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 74.4 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -48.69 75.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 75.45 110.912 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.8 -37.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 53.25 111.155 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -35.7 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.14 110.877 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.6 t -80.63 -29.67 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.845 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.31 26.61 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.842 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.853 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 75.43 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -65.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 72.01 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -83.83 151.57 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.858 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 63.44 110.839 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' VAL . . . 178.74 -48.36 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 75.45 112.501 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' GLY . 2.4 p 35.55 82.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 73.52 111.108 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.3 143.28 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m -79.82 124.64 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 73.23 111.133 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.72 154.71 40.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 70.52 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.52 -36.98 62.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 74.1 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.34 -36.98 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.933 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.44 -45.27 73.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.821 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.48 -47.61 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 72.45 111.128 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -65.11 -42.38 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.106 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.15 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 55.23 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.5 mt -68.76 -40.3 79.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.894 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.98 -45.98 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.83 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.68 -38.9 70.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 64.52 110.838 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 tp -56.48 -44.34 80.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 73.54 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.52 -24.3 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.35 110.86 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 20.16 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 62.04 46.64 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -73.2 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.905 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -75.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.844 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -179.01 -70.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.85 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -140.12 150.64 44.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.921 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.1 123.45 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 72.43 111.144 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -110.07 132.25 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.7 mtm -135.34 155.75 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.88 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -130.8 165.37 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -85.9 125.19 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.3 t -109.5 128.61 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.145 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.12 15.64 8.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.817 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.04 31.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 73.35 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -144.74 -41.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.13 126.99 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.43 110.819 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 61.7 mt -81.7 131.41 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 74.05 111.148 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.61 156.64 41.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.064 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.29 138.38 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -46.42 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.23 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -161.42 111.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 74.02 111.09 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.1 tt -97.17 142.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.153 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.17 -179.22 28.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 73.32 112.552 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.88 49.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 74.4 110.867 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 59.61 20.26 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.45 5.58 3.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 71.21 112.501 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.92 130.26 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.4 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.71 175.28 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -69.41 -39.24 78.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -46.95 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 72.23 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.45 -39.79 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 73.33 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -59.65 -50.92 72.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 65.15 110.896 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.81 -41.98 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.12 84.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.862 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.04 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.081 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.02 125.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 74.3 111.102 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -118.47 129.61 55.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 64.25 110.85 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.89 91.96 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 179.93 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.35 110.83 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.63 154.54 71.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 75.44 111.15 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 130.4 19.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.729 2.286 . . . . 73.24 112.334 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -140.77 142.44 34.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 60.13 110.913 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -117.75 130.15 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.932 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.74 122.8 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.22 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.15 136.9 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 63.33 111.115 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -131.11 130.41 43.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.924 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -94.02 133.36 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -139.76 132.46 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.888 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -87.86 140.03 29.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.24 176.15 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.24 110.906 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 t -105.56 62.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 73.15 111.129 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.6 m -77.68 -49.96 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 62.24 111.12 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -77.8 -35.62 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.23 -32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.872 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -178.23 -79.03 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 70.32 112.443 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 72.73 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 75.03 112.36 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -132.33 149.24 52.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.53 110.854 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -134.66 135.17 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.7 141.79 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.895 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.56 137.68 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 63.5 110.936 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.0 149.01 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 tp -117.18 119.55 35.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.907 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.25 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.162 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.07 127.63 47.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.828 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -112.59 114.52 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.03 110.893 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 p30 177.38 156.31 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 71.41 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.36 19.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 75.3 112.364 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.97 -41.06 91.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.84 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 14.27 24.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 62.22 110.882 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.21 -95.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 73.15 112.532 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.23 159.47 33.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 73.25 111.124 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -39.97 5.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 70.32 112.333 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.04 -43.2 83.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 91.3 m -67.3 -37.83 84.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.53 111.159 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -67.77 -46.32 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -41.84 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 63.2 110.934 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.1 mt -55.07 -29.86 58.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.882 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -59.04 -34.13 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.1 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -97.72 -29.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 61.24 110.843 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -26.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 72.04 110.836 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.4 t -99.07 -33.31 10.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.31 110.81 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -56.31 -39.38 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.55 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.01 -40.43 95.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.877 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.28 -23.96 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -25.83 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.567 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.36 -55.35 29.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 74.35 111.105 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.72 -33.05 17.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 72.33 112.353 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.5 -41.92 88.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.885 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.5 p -130.8 70.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.31 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.26 122.43 28.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 132.47 -44.88 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 72.11 112.501 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.24 158.26 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.33 110.833 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.29 144.68 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.49 126.87 7.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 75.44 112.524 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.2 mm -128.3 120.27 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 74.12 111.12 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.56 116.67 33.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 64.15 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.82 132.8 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 62.41 111.077 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.93 155.56 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.84 -163.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.31 110.883 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.09 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.14 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -22.61 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -102.92 19.86 45.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.479 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 25.0 mt -133.09 24.5 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 72.42 110.916 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.28 105.71 16.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.21 110.885 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -59.53 -42.96 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.896 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.66 -34.87 69.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 74.33 110.849 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.56 -40.41 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.03 -47.1 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.161 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m -63.39 -38.83 92.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 60.42 110.803 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -37.61 78.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.855 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -66.07 -48.32 71.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.78 -37.7 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.181 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -69.9 -34.92 74.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.859 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.4 m -69.43 -37.76 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.43 110.851 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 53.69 34.05 18.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.932 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.32 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 75.31 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.11 -65.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 63.03 111.089 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 37.1 mtm -126.77 160.35 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.22 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t 52.67 61.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.859 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.2 -166.77 10.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 61.11 112.501 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.5 t 60.54 104.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 74.52 111.099 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.78 136.54 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.839 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -83.09 132.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 74.55 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.33 149.72 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -35.67 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -58.64 -44.76 90.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.77 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.59 -50.49 78.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 75.12 111.117 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -63.31 -41.19 98.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.121 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.18 83.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 74.04 111.091 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.4 mt -67.3 -39.63 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.898 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.88 86.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.41 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.71 -37.01 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.874 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.73 -43.16 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 61.23 110.929 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -23.81 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 20.11 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.45 46.7 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.33 110.892 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.39 -66.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.88 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.52 -75.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.865 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.67 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -144.83 142.28 29.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 72.31 110.955 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.03 124.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 72.14 111.115 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -109.21 135.74 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.174 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.14 154.61 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.892 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -128.55 168.58 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.797 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.5 mt -96.37 113.33 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.138 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.02 144.93 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.43 111.141 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 58.48 20.73 7.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 74.3 110.901 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 39.02 41.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 74.44 110.912 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -157.2 -38.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -116.06 150.86 36.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 64.31 110.841 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 56.9 mt -103.18 130.85 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 72.5 111.112 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.1 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.1 111.088 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.19 138.36 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 63.41 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -106.09 -42.27 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.55 110.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -161.2 109.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.8 146.1 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 74.41 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.62 -174.18 24.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.474 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.12 54.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 75.33 110.862 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 61.89 18.16 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 74.52 110.889 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -34.34 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.507 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.41 130.73 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.45 111.141 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.69 172.09 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.848 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.57 -41.1 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.854 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -57.59 -46.85 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.94 -36.0 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -62.82 -50.91 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.09 -41.83 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 72.01 111.092 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -60.46 -40.44 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 -53.78 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.12 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.11 124.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.23 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.85 122.74 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.85 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 91.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.945 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.72 -74.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.9 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.02 154.43 84.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 74.43 111.143 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 126.62 13.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.221 . . . . 54.22 112.358 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.6 m -145.54 151.74 38.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 73.22 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.1 130.06 46.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.903 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.92 125.83 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.095 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.92 119.89 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.139 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -116.62 127.46 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.02 127.19 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.868 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -135.79 125.31 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.903 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.08 132.62 54.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.855 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -153.48 174.34 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.32 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -131.27 52.92 2.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 65.13 111.144 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -79.12 -29.27 43.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 74.21 111.131 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.64 -37.78 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 65.53 110.894 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.17 -51.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 70.32 110.858 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.72 163.92 13.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 71.21 112.456 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.63 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 74.25 112.317 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.55 149.28 31.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.1 110.853 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -111.29 134.48 52.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 133.64 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -108.46 134.81 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.959 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.85 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 75.2 111.113 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.7 tp -120.88 119.81 33.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.916 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.45 122.53 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.102 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -114.07 138.83 49.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.833 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -91.36 115.38 27.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 73.13 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -148.08 78.62 9.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 74.24 110.865 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.59 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 73.23 112.303 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -58.21 -22.66 52.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.832 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.93 13.55 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 54.14 110.826 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -67.93 -106.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 45.43 112.495 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.96 160.41 62.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 65.43 111.037 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -45.67 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.635 2.223 . . . . 73.13 112.334 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.03 -44.51 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.824 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.8 p -63.34 -43.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 63.41 111.152 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -57.71 -46.38 84.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.91 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.31 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.45 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.897 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.25 -47.36 85.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -37.12 82.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.877 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -67.26 -34.74 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 61.44 110.864 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.4 t -84.02 -32.14 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.855 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -39.39 88.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.882 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.68 -42.17 98.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.895 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.21 43.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 73.01 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.82 -22.9 31.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 74.41 110.949 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.76 -55.33 39.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 64.15 111.087 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.74 -34.52 14.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 74.41 112.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -44.59 82.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.943 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.4 p -120.17 65.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.42 111.138 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.22 122.44 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 71.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.86 -46.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 70.43 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.1 149.57 46.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 65.51 110.839 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.22 107.26 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.67 121.88 7.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 55.34 112.515 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.37 138.58 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 72.43 111.122 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.73 116.9 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 132.03 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -97.92 163.18 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.6 -26.25 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.086 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.68 -23.71 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.882 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.65 38.04 3.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.35 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 pp -175.73 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.31 110.892 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.0 117.54 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -52.11 -43.44 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.876 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.02 -34.88 78.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 63.1 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.68 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.23 110.892 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.14 -47.2 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.14 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 64.7 m -62.89 -40.15 96.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -65.99 -36.79 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -48.4 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.892 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -37.89 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 72.34 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -71.24 -35.41 71.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 m -75.72 -32.23 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 44.34 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 54.61 27.23 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 71.35 110.892 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.853 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.741 0.305 . . . . 75.2 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.87 31.55 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 73.3 111.086 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.7 ptm -149.58 169.35 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 p -177.16 -56.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 63.44 110.83 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.72 -30.34 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.713 -0.756 . . . . 72.41 112.481 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.94 122.2 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 73.42 111.16 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -143.36 145.21 32.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.878 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.8 m -73.31 127.87 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.158 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.82 157.59 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 71.32 111.044 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -36.0 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.93 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.97 -33.96 76.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -71.03 -45.24 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.4 -45.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 72.45 111.119 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.5 m -65.85 -46.66 77.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 72.15 111.133 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.99 82.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.22 111.055 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.18 -42.79 75.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 75.55 110.88 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.21 -45.83 86.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -69.21 -42.4 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.875 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.39 -34.82 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.55 110.952 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -63.37 -25.31 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.45 110.863 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 16.64 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 64.33 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt 61.98 46.67 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 73.51 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -20.97 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 53.42 110.895 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.01 -80.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.866 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 177.39 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -145.24 155.29 43.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.932 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.1 p -142.5 120.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 63.32 111.11 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 mt -102.18 132.33 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 73.53 111.141 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.63 154.23 48.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.01 110.88 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -133.94 162.62 31.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 73.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.6 mt -85.88 122.21 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 74.11 111.089 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.2 t -105.08 129.26 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.51 111.121 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.92 15.72 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.859 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 48.75 32.13 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.895 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -41.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.928 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.74 126.91 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -80.81 131.43 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.136 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.76 158.87 38.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.43 111.149 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.82 138.39 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.066 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.89 -49.57 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.5 m -161.46 104.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.05 111.167 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 tt -96.91 147.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 70.14 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.28 -175.26 25.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 53.32 112.472 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.53 66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 71.43 110.881 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 51.54 80.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 74.11 110.892 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.84 -18.88 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 64.33 112.481 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.12 120.67 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 74.52 111.089 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.63 174.89 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 75.34 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -68.54 -37.05 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 70.12 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.03 -46.85 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.88 -41.46 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -60.41 -51.62 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.905 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.47 -45.42 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 74.41 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.49 -40.14 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 73.22 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.6 pt -66.28 142.71 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.91 125.89 40.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 75.14 110.866 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.35 76.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -179.36 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.899 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -79.62 154.64 76.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 71.13 111.113 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.51 6.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 52.12 112.32 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 t -132.91 140.67 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.1 130.08 46.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.967 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.27 129.35 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.22 111.108 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.72 114.05 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 74.34 110.844 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -84.6 130.82 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 72.12 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.45 170.17 16.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.88 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -119.54 147.35 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 171.36 17.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.922 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -108.06 62.88 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 74.1 111.137 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -77.79 -49.86 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.14 111.15 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -77.79 -35.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.901 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.23 -77.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 71.05 112.494 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 74.14 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 71.3 112.327 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.85 157.94 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.866 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.86 134.58 54.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.857 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.59 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.888 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.3 136.34 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 13.6 mt -115.0 148.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 75.32 111.159 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.23 121.18 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.921 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.3 129.86 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.099 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.21 128.98 47.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 25.5 m95 -110.56 114.76 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.943 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.55 140.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 75.4 110.938 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.62 23.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.25 . . . . 65.12 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.34 -21.85 60.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.877 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.2 13.71 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.904 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.89 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 54.11 112.452 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.09 159.92 69.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 70.34 111.097 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -38.38 7.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 73.53 112.366 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -66.84 -34.24 77.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.3 m -68.18 -45.97 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.178 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -38.84 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -48.12 52.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.855 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.89 -34.42 76.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.933 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.16 -48.74 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.923 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -63.27 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.3 t -67.2 -42.49 84.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 52.25 110.845 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.0 p -71.5 -45.1 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.841 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.16 -39.47 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -40.53 89.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 73.05 110.857 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.17 -23.11 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.037 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -26.08 31.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.92 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.574 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.62 -55.32 30.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 74.01 111.162 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.76 -31.75 19.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 73.14 112.335 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -48.04 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.926 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 36.5 p -103.27 56.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.126 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.57 122.57 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 74.42 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.26 42.72 6.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 70.24 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.86 154.85 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 73.44 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -104.32 98.44 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.899 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.26 111.97 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 52.13 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.68 138.36 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 74.52 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.76 116.9 32.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.881 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.88 126.87 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.128 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -97.85 159.88 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.926 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.04 -164.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.858 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.76 -26.11 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.126 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -21.16 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 70.43 110.903 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.38 -13.22 63.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 42.14 112.467 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.5 mt -102.95 24.33 10.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 74.03 110.919 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 95.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.815 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -60.24 -38.25 82.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.61 -41.23 92.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 71.12 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.95 -41.14 87.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 71.41 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.2 mt -64.75 -47.36 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.097 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 p -63.29 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.901 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 74.2 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -67.75 -48.48 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -67.89 -37.85 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.106 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.12 -33.32 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -86.95 -31.21 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.863 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 63.26 30.41 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.826 0.346 . . . . 72.31 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.72 164.29 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.09 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -143.35 157.6 44.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.5 -55.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 72.54 110.855 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.44 -54.03 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.509 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.6 t 59.99 102.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 61.35 111.11 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 137.15 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.33 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 p -73.25 127.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.139 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 151.21 47.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.125 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -53.44 -36.97 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 72.42 110.854 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.54 -43.08 84.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.15 -41.64 90.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.846 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.6 t -59.31 -52.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 71.25 111.117 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.145 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.3 87.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.078 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.5 mt -68.62 -40.45 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.947 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.88 -46.19 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.84 -37.46 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 54.44 110.881 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.24 -38.0 78.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.896 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.23 -24.23 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 73.12 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -94.0 20.02 8.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 56.44 46.7 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -30.72 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 75.21 110.872 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.98 -76.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.852 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 -68.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.871 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -145.34 154.3 42.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 75.23 110.904 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.3 p -139.65 126.46 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.155 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.73 136.07 45.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 70.1 111.117 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.86 156.15 49.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 75.11 110.875 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -134.06 166.38 22.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 71.41 110.867 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.6 mt -85.79 125.73 40.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.13 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -109.44 130.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 75.41 111.123 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.66 15.88 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.832 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 48.6 32.1 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -144.86 -41.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.97 126.81 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.42 110.853 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.74 131.54 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -128.82 160.98 30.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 73.22 111.125 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.67 138.24 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.42 111.121 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -106.0 -49.83 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.2 m -161.74 107.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 tt -96.59 147.7 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 72.45 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.7 -172.76 25.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 62.51 112.49 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -179.92 58.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 73.14 110.915 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 55.72 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.88 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.04 -28.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 75.31 112.499 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.93 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.309 . . . . 64.52 111.077 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' H ' ' NE2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -71.56 167.03 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.899 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.93 -32.63 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.13 110.941 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -47.42 84.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.85 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.423 ' NE2' ' H ' ' A' ' 56' ' ' ASN . 8.7 pt20 -69.95 -31.0 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.941 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -65.44 -51.51 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.1 110.869 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -36.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 74.5 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.15 -39.85 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.858 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.65 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 74.54 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.2 pp -71.53 135.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.094 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.35 118.23 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.887 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 88.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 75.05 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -179.46 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.89 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 m -66.98 154.58 92.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 75.52 111.102 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 65.34 112.359 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.6 m -139.66 153.97 47.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.15 130.07 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 72.53 110.936 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.5 128.27 50.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 64.15 111.093 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.67 129.2 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 73.44 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.52 128.71 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.64 133.52 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 72.32 110.912 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -139.12 161.96 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -111.71 147.24 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.34 110.886 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -148.99 166.97 27.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.919 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -118.46 50.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.01 111.158 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -77.49 -41.5 39.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.161 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -78.82 -36.29 42.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.893 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 t0 178.8 -43.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.866 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.81 -79.82 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 55.3 112.519 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 71.1 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 73.42 112.328 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -114.45 149.29 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.872 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -119.39 134.52 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 128.67 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.55 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 138.2 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.93 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.63 149.05 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.144 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -122.97 118.9 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.968 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.58 119.39 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.25 111.115 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 t -101.31 138.71 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -93.42 115.26 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 70.12 110.841 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.13 85.73 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 74.14 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.86 24.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 72.25 112.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -58.01 -22.9 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.897 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 13.77 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 64.15 110.877 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.57 -111.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 64.15 112.482 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.5 159.37 58.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 72.04 111.081 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.29 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 72.24 112.329 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -59.95 -42.53 94.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.21 110.842 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 18.9 p -66.47 -38.91 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.122 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -62.88 -48.26 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -42.44 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 64.4 110.878 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.07 -29.91 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.951 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -58.96 -48.81 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.946 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 t -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.45 110.844 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 m -55.58 -26.1 41.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.834 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -95.47 -26.32 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.857 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -39.37 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 75.22 110.879 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.05 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 64.25 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.74 -23.25 31.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.54 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.48 -55.38 38.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 74.53 111.114 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 -33.45 16.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 71.14 112.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.91 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 76.8 p -119.86 64.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.17 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -85.36 122.49 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.49 -50.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 70.12 112.5 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.16 144.52 50.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 75.04 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.42 101.24 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.966 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.02 104.07 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 51.51 112.463 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.8 mp -131.67 128.78 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 75.33 111.123 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -82.55 133.72 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.91 127.98 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 74.53 111.094 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -108.14 158.4 17.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.929 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.59 -164.5 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.61 -26.58 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.24 111.116 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.05 18.84 36.03 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 74.5 112.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.6 mt -136.3 23.88 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 71.55 110.909 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.12 106.79 19.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -51.82 -38.07 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.832 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 -34.04 68.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.21 -42.29 80.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.923 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.2 mm -65.29 -47.2 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.123 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -64.19 -37.57 87.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.4 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.22 110.871 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 75.25 110.88 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.9 p -63.55 -40.4 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -22.27 53.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.916 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -32.03 73.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 70.02 110.854 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.7 m120 54.81 33.16 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.853 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.828 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.767 0.317 . . . . 75.04 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.39 27.18 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.146 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.9 mtt -114.22 -28.5 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 64.04 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -166.19 96.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.865 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.23 -32.83 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 72.25 112.512 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.35 120.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 70.31 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.88 141.5 40.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 71.53 110.903 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 p -73.22 122.79 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.3 111.176 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.31 155.88 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.14 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -53.46 -36.94 62.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.84 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.87 -43.08 90.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 71.35 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -65.64 -43.7 88.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 73.11 110.899 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.66 -48.11 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.22 111.076 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -41.96 95.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.141 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.21 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.085 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.17 -39.9 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 74.1 110.927 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.02 -45.89 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.865 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.73 -38.69 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -44.45 81.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 75.45 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -63.69 -24.33 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.45 110.854 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.25 20.13 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.54 110.869 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tttt 62.17 46.59 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 73.12 110.927 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -71.23 -68.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 74.13 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.98 -76.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.01 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.04 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -145.21 153.34 41.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.903 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.15 123.82 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 63.42 111.176 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.4 mt -107.44 136.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.14 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.76 155.88 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -129.37 163.59 25.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.847 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.2 mt -85.77 126.02 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.183 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.2 t -110.63 127.72 67.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.114 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.0 15.82 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.04 110.801 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 48.96 32.18 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.928 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -145.09 -41.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.25 110.876 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.82 127.02 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 73.22 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.32 131.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.101 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.16 150.63 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.33 111.1 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.26 138.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -107.18 -46.38 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.876 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -162.06 106.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 72.43 111.184 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.55 147.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.04 111.167 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.81 -171.77 25.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 70.24 112.534 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -179.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 60.74 19.72 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.65 13.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 73.03 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.33 111.11 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 72.55 111.088 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.93 162.41 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -69.53 -36.91 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -46.86 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.85 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.884 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -65.63 -45.71 82.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.878 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.6 mm -71.31 -43.97 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 73.34 111.15 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.52 -40.51 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.915 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.57 -53.29 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.064 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 tt -68.64 147.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 74.13 111.154 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -169.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.909 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.54 68.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.905 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 73.12 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.19 152.9 96.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 70.55 111.106 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 74.01 112.351 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.49 147.54 50.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 71.13 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -129.01 129.9 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.47 123.89 48.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 40.02 111.143 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.43 113.27 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -111.53 127.54 55.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -101.63 122.32 43.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 65.15 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -133.37 135.15 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.03 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.63 147.06 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 70.24 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -152.1 156.6 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 75.32 110.927 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -127.46 43.88 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 74.2 111.17 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.2 m -78.88 -48.25 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 65.22 111.142 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.4 -38.96 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 55.44 110.899 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.98 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.846 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.11 161.32 14.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 62.11 112.489 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 74.24 112.307 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 176.33 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.848 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.02 134.62 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.03 110.841 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.85 134.65 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 73.02 110.867 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.63 130.02 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 75.54 110.876 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.94 150.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.143 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.23 121.02 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.41 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 129.98 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.21 111.132 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.17 125.69 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.854 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -111.77 114.17 26.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.19 160.04 0.51 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.554 0.692 . . . . 73.34 110.911 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 63.01 112.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.93 -41.17 91.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.53 110.867 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.3 13.9 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.15 110.803 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.85 -93.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 64.13 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.55 156.64 45.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 71.53 111.098 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 74.31 112.338 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -45.47 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -68.09 -37.2 80.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.124 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -65.33 -48.2 73.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -39.89 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -55.03 -29.69 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.932 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -58.8 -48.86 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.957 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -78.58 -32.2 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 73.35 110.891 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -67.28 -22.07 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.81 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.21 -25.66 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 61.24 110.847 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -40.8 97.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.84 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 75.11 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -22.9 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.76 -26.51 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 64.42 110.951 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.67 -55.51 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 73.12 111.154 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.71 -31.23 21.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 74.42 112.358 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.32 -24.28 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.938 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.3 p -130.66 61.47 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -52.76 122.47 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.5 110.891 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 79.92 46.92 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 62.42 112.492 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.53 158.16 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.53 110.888 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.94 104.01 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.2 113.31 4.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 62.43 112.511 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.45 136.31 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 75.2 111.165 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -109.83 123.99 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 72.11 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 130.75 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.059 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -97.78 156.47 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 63.03 110.861 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.91 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.843 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.37 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.105 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 t -59.72 -23.25 63.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.859 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.98 29.76 11.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 74.42 112.497 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.1 mt -142.07 20.62 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 71.03 110.933 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.44 96.2 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.884 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -55.7 -42.39 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -32.0 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -68.31 -42.08 79.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.59 -47.13 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 65.31 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 m -62.41 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.826 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -37.14 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.845 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -48.4 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.94 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.9 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.11 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -28.04 64.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.877 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t -83.08 -27.57 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.885 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 57.87 53.35 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.808 0.337 . . . . 74.11 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.31 -66.17 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.44 111.124 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.6 mtp -71.06 -36.13 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 74.03 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -144.79 82.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.853 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.21 -178.05 20.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 74.23 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t 64.47 144.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 75.34 111.154 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 136.79 54.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.803 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.55 122.46 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 143.79 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.116 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.3 -31.46 44.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.887 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.896 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.64 -48.34 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.139 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -64.55 -44.01 92.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.55 111.149 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.57 85.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 64.14 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.16 -42.02 76.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 73.03 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -46.02 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.86 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.58 -37.0 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.831 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.79 -35.17 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.33 110.919 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -62.77 -24.74 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.86 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 18.23 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.16 46.61 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.895 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.41 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -78.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.41 110.852 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 177.12 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 75.41 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -145.21 155.35 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.2 t -137.32 122.27 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 74.45 111.131 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -107.67 137.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.07 153.7 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 71.55 110.876 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -128.15 150.85 49.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 74.51 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.1 mt -84.97 117.72 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.106 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.48 134.04 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.149 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.7 24.0 6.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.843 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 39.46 40.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 75.04 110.917 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -151.1 -40.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.61 127.05 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 64.24 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 65.8 mt -83.11 131.06 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.14 44.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.065 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.1 138.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.121 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 -56.44 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.926 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -158.89 106.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.115 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.8 tt -96.93 145.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.082 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.61 -179.75 22.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 73.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -178.73 65.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 75.33 110.91 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 55.92 24.64 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.55 110.892 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.31 -36.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 72.44 112.458 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.5 141.33 20.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 72.24 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.36 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.926 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.48 -41.96 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 71.32 110.881 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -46.78 86.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -71.09 -31.28 67.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.88 -47.97 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.889 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.3 -43.25 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.04 111.142 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.59 -40.31 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.38 -53.92 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.28 147.37 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 72.43 111.147 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.08 -170.09 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.899 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -143.4 75.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 73.02 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.6 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 61.35 110.913 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.15 154.47 37.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 64.41 111.135 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 75.23 112.319 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.7 m -137.48 142.34 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 65.13 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -115.78 129.6 56.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.964 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.1 123.04 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 63.24 111.077 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.63 123.6 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 64.14 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.25 127.1 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 65.5 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -104.23 118.81 37.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.862 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -118.51 118.68 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.879 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -88.0 139.23 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -151.5 175.99 11.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.34 110.896 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t -114.93 53.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 55.13 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.9 p -77.37 -43.96 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 73.51 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -77.68 -35.62 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.45 110.882 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.9 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.883 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.77 -79.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 71.42 112.449 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 72.37 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.656 2.238 . . . . 72.31 112.356 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.17 149.04 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.882 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -145.19 134.64 23.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 125.73 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.884 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.8 mp -101.05 128.83 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.917 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.34 148.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.32 111.094 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.08 118.96 31.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.904 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.4 mp -117.78 129.4 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 75.12 111.161 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.33 117.57 35.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.87 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -105.9 114.51 28.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -179.84 155.07 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 74.4 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 130.79 19.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 73.42 112.329 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.09 -41.23 90.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.12 110.879 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -109.0 14.07 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.842 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.35 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 74.42 112.488 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.2 158.87 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 71.15 111.116 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -36.74 10.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 74.23 112.315 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -69.23 -32.45 71.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 98.5 m -73.75 -47.23 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.109 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -48.07 49.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.35 110.889 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.2 mt -56.3 -30.46 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.11 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.95 -33.85 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 75.13 110.955 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -32.97 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 73.04 110.851 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -42.64 83.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 61.24 110.873 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 t -83.85 -17.32 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.87 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -38.99 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.859 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.87 -41.62 98.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.877 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.95 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.77 -15.26 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.937 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.558 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -61.21 -55.53 42.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 75.21 111.134 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.5 Cg_endo -69.8 -34.08 15.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 65.14 112.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -48.31 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.917 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 p -105.9 46.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 63.11 111.168 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -81.66 132.47 35.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 12.54 33.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 72.1 112.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.37 152.85 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 75.55 110.841 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -81.84 111.79 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 75.52 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.13 120.23 6.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 70.12 112.49 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.45 138.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 71.33 111.083 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -109.89 120.23 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 64.42 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.58 138.59 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.0 111.088 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -97.46 156.96 16.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 53.42 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.67 -161.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 65.12 110.854 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.13 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.12 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -60.2 -22.82 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.04 43.11 1.74 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 73.33 112.491 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 33.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 75.51 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.12 110.47 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.872 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -47.69 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.901 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.45 -34.46 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 73.14 110.841 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.58 -39.65 80.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.0 mt -67.19 -47.03 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.161 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.3 m -64.81 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -37.56 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.888 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.61 -48.6 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.05 -37.79 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.13 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -63.24 -34.73 78.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 -37.64 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 60.08 33.0 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.6 mtt-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.886 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.791 0.329 . . . . 73.13 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 26.18 14.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 73.43 111.13 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 ptm -106.51 -28.86 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 73.44 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -73.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 72.51 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.23 -48.74 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 70.33 112.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t 60.25 103.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 73.13 111.168 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.92 136.86 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.856 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.5 p -73.39 122.74 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 73.43 111.11 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 152.66 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.11 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -58.5 -28.45 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.52 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.9 -43.46 91.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 m -66.05 -42.74 89.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 62.35 110.911 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -58.68 -52.15 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.23 111.161 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.13 111.143 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.64 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 70.05 111.092 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -69.08 -40.41 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.81 -46.33 84.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.04 -37.74 69.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.921 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tp -56.64 -43.98 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.932 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -24.13 67.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.54 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.46 20.15 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.02 46.68 6.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.913 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -72.66 -53.45 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 75.22 110.885 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -77.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 -63.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.56 146.16 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.909 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.65 124.18 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 65.34 111.136 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.4 mt -111.82 131.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.159 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mtm -131.78 156.18 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 75.52 110.823 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -138.22 167.48 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.8 mt -85.75 129.25 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.129 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.93 128.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.132 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.85 15.86 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 48.97 31.65 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.959 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -143.2 -41.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.65 127.11 45.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.839 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.6 mt -81.44 131.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 73.51 111.118 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.09 165.56 21.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 51.41 111.104 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.08 138.34 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.15 111.118 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -106.97 -50.4 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.6 m -161.26 108.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 96.6 mt -107.95 142.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.137 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.27 -169.71 33.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 73.51 112.453 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -179.85 56.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 74.01 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 63.38 25.76 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.51 16.57 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 71.34 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.65 130.2 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 75.01 111.127 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.87 168.64 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 53.31 110.904 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -32.04 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.853 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -47.01 87.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.849 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -72.31 -31.15 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -63.4 -50.48 69.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.1 -38.92 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.31 111.102 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -40.64 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 75.45 110.897 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.99 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 73.32 111.074 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -66.39 143.5 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.151 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.38 147.6 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -87.85 91.31 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.19 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.76 154.59 94.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 72.43 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 123.37 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 74.54 112.353 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -154.92 145.05 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.865 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -128.92 139.01 52.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.891 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.29 120.09 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.055 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.0 113.24 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 74.33 111.094 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -116.49 140.57 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.56 124.97 35.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.835 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -124.38 174.74 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.888 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.04 147.3 37.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 74.02 110.892 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.75 164.49 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.903 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 t -115.75 56.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 62.41 111.15 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.2 m -77.43 -49.34 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 72.52 111.197 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.67 -36.02 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.888 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.03 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.31 110.852 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.54 -76.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 53.11 112.496 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 74.31 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 61.5 112.327 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.12 149.32 44.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 75.03 110.889 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -113.79 134.15 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -144.43 121.88 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.73 136.0 39.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.3 mp -116.48 148.77 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.13 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.32 120.29 29.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.958 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -107.96 118.91 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.1 111.095 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -101.19 138.56 38.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 53.32 110.848 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.29 115.54 29.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.875 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -157.53 80.38 3.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 74.11 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.64 23.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.738 2.292 . . . . 64.12 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.03 -23.12 53.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.02 13.37 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 54.34 110.853 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 -107.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 74.21 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.25 159.09 73.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 73.35 111.111 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -47.81 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 65.43 112.315 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -67.86 -44.17 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 74.13 110.878 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.9 p -62.54 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.119 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -58.46 -48.41 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.921 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -30.43 65.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 75.55 110.838 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 mp -55.84 -48.78 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 62.52 110.915 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -33.89 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 74.11 110.948 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.4 p -79.2 -28.36 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 65.43 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.59 65.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.895 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 p -111.69 17.25 20.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.857 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -66.33 -44.32 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 110.835 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -66.44 -33.12 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 75.43 110.899 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.64 -31.35 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.54 111.099 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.49 -22.25 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 75.34 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.559 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.07 -55.46 27.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 72.44 111.136 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.72 -34.95 13.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 75.35 112.346 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.36 -32.36 73.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 63.41 110.931 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.7 p -106.77 46.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.17 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.39 122.49 29.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.12 -46.84 1.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 74.25 112.488 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -71.09 133.11 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.14 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.11 91.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.78 114.8 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 75.21 112.438 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.49 138.53 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 73.3 111.134 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.15 116.76 32.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.25 129.61 14.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.148 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.82 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.865 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.64 -163.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.848 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.33 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.163 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -23.27 62.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.21 110.87 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.36 -17.0 67.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 74.21 112.531 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.73 25.92 11.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 75.52 110.929 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -71.4 101.6 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.84 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -56.34 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 74.13 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.52 -35.93 70.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -67.49 -43.43 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 72.25 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 45.6 mm -63.09 -47.17 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 74.35 111.118 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.31 -35.52 80.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -69.47 -48.17 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.33 110.883 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -68.04 -38.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 73.01 111.112 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -21.76 55.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.5 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 61.51 29.99 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.852 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.9 mtt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.772 0.32 . . . . 74.54 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.34 33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.14 111.076 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 157.12 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.11 110.87 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.5 m -135.23 73.32 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.863 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.95 -70.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 70.53 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 41.2 t 59.86 101.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 61.42 111.161 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.92 137.05 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.871 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.0 p -74.47 123.66 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.3 111.086 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 149.37 50.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.106 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.47 -34.09 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 74.2 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.61 -40.08 82.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.843 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 m -66.85 -45.03 79.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.1 t -58.79 -49.31 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.169 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.11 111.153 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.59 86.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 65.44 111.092 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.78 -41.32 78.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -45.98 85.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -37.0 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.44 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.52 -36.83 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.921 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -63.28 -24.56 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.94 20.38 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 72.31 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.31 46.54 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.852 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.09 -40.1 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -78.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.875 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.57 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -145.3 136.38 24.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.919 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.54 128.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.131 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 mm -107.52 128.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.45 111.122 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 154.8 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -139.71 162.61 34.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.1 mt -85.83 127.4 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.091 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 83.7 t -110.14 128.26 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.131 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 62.25 16.21 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.932 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 48.66 31.7 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.954 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -40.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 71.23 110.903 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.01 127.23 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.893 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -80.58 131.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 70.23 111.158 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.37 165.71 23.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.24 111.075 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.36 138.57 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 71.21 111.167 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.58 -49.31 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 73.45 110.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -160.94 109.67 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.7 tt -95.61 147.74 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 65.14 111.093 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.26 -92.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 75.44 112.476 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 65.29 53.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 74.35 110.894 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 51.64 29.84 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.908 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.98 -32.62 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 73.24 112.531 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.97 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 72.14 111.124 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.08 173.37 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 64.32 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -69.89 -34.08 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.839 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.7 -47.87 81.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.77 -31.03 64.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.44 -48.82 73.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.51 -41.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 74.11 111.117 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.39 -40.17 85.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.866 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.05 -54.03 8.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 74.24 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.0 mm -63.35 124.9 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.41 111.098 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.34 -170.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.31 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 66.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.23 -63.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.902 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -80.99 152.79 71.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 74.34 111.133 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.4 21.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 64.15 112.32 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.5 m -147.21 142.29 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.53 110.885 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -122.54 130.23 52.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.92 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.44 121.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 73.54 111.12 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.85 110.12 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 64.33 111.151 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -113.56 127.39 56.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.14 124.39 39.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.06 111.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.44 134.91 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 73.54 110.895 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -153.26 176.04 12.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.35 110.925 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -102.72 62.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.2 111.156 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -77.66 -49.92 13.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.31 111.142 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -77.86 -35.59 50.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.889 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.04 -32.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.861 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.52 -77.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 72.3 112.452 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 73.72 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 74.11 112.37 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 149.39 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 75.45 110.851 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.21 134.59 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 73.53 110.874 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 121.81 32.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.9 mp -90.93 132.84 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.913 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mm -118.23 148.31 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 74.31 111.106 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -125.11 119.92 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.93 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.05 127.2 74.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.102 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 128.96 53.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 71.11 110.84 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -111.62 114.78 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 178.33 129.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 74.24 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.89 24.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 74.21 112.355 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.98 -25.1 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.88 13.77 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.851 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.48 -98.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 71.33 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.25 159.66 66.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 75.03 111.058 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -38.94 7.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 75.15 112.374 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -63.63 -45.24 91.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.4 t -70.52 -37.46 74.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 54.12 111.159 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -48.39 80.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.874 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -46.82 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.895 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 mt -55.1 -30.53 59.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.939 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.04 -33.83 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 74.53 110.895 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -91.33 -30.75 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.873 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -67.19 -42.5 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 61.22 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.3 p -83.32 -20.61 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -39.33 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.857 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.8 95.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.914 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.35 -23.6 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.098 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.82 -17.33 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 62.25 110.956 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.562 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -60.83 -55.47 44.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.651 0.739 . . . . 73.51 111.098 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 -36.09 11.5 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 75.14 112.362 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -47.52 66.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.05 110.91 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.7 p -111.43 49.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.15 111.166 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.26 138.92 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.963 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.88 10.11 57.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.79 -0.719 . . . . 73.32 112.477 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -123.78 120.08 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 74.21 110.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -51.94 103.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.25 119.53 6.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.34 112.471 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.38 138.59 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 73.24 111.172 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -107.01 124.11 49.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.44 129.34 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -97.84 156.94 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 73.01 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.07 -163.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.854 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.31 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.25 111.154 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -59.7 -23.49 63.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.64 28.82 13.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 55.34 112.487 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 78.5 mt -141.07 20.99 2.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.346 . . . . 75.34 110.922 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -85.92 96.04 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.832 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.34 -38.19 65.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -57.49 -33.02 67.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -41.88 81.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 79.0 mt -67.09 -47.08 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 75.34 111.129 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.4 p -62.57 -39.51 93.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.866 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -69.07 -37.12 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.43 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -48.35 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.899 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.83 -37.93 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 60.03 111.137 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.28 -34.21 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.916 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.73 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.82 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 53.24 42.41 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 75.14 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.816 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.339 . . . . 72.25 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.17 37.33 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 63.35 111.048 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 ptp -156.76 50.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.873 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -137.13 -52.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 63.42 110.872 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.03 -20.59 44.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 65.32 112.427 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t 60.29 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 63.43 111.125 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.81 137.25 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 64.04 110.89 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -73.14 127.81 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.42 111.131 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.59 149.38 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 71.42 111.156 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.39 -36.96 62.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 73.33 110.821 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -36.88 71.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.43 110.887 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.78 -45.11 72.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.33 -51.9 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.35 111.132 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -62.4 -42.49 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.142 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.96 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.069 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.15 -41.96 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 63.34 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -46.18 83.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.78 -37.13 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.22 -36.78 76.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.955 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -62.93 -24.55 67.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 73.13 110.885 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -101.4 20.3 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 62.02 46.7 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.933 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -72.88 -38.54 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.01 110.898 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.55 -79.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 179.0 -67.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 74.1 110.86 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -143.72 144.65 31.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.953 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.99 116.03 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 74.53 111.153 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -104.54 136.82 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.34 111.151 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.91 155.96 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 73.42 110.899 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.29 163.97 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.851 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.3 mt -87.01 129.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.112 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -114.67 128.35 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.126 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.75 15.91 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 73.12 110.868 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 48.67 32.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.916 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.34 -40.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.896 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.7 127.32 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.884 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.85 131.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 71.51 111.111 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.44 161.85 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 63.55 111.085 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.82 138.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.075 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -110.83 -57.19 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.35 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.6 p -149.36 99.32 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 71.53 111.157 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.0 tt -96.08 140.84 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 72.55 111.157 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.97 -171.83 22.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 65.43 112.487 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -158.82 -49.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 70.31 110.874 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 177.73 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 74.34 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.67 -15.99 1.08 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 74.24 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.59 95.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 72.12 111.12 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -71.49 177.57 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.887 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -69.56 -29.09 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.07 -47.27 85.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 65.44 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.82 -31.79 68.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.39 -51.75 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.886 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.4 tt -70.35 -35.51 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 75.54 111.175 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.29 -53.91 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 73.24 111.08 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.6 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.107 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -136.09 114.55 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 73.43 110.872 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 105.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 179.91 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.947 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -81.59 154.7 71.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 63.14 111.151 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 110.58 2.58 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 75.34 112.37 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.9 m -130.27 151.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.92 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.85 130.03 46.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.915 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.28 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 74.51 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.54 115.31 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 51.12 111.125 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.47 127.25 55.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.943 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 119.66 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -133.09 130.63 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.71 147.29 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -151.41 175.99 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.922 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -106.08 61.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 75.31 111.151 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.9 m -77.5 -49.81 13.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -77.85 -35.57 50.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 73.24 110.844 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.37 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.841 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.11 -77.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 74.11 112.499 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 74.22 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.733 2.289 . . . . 71.13 112.328 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.32 149.36 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 73.34 110.9 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.34 134.56 49.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -132.7 133.84 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.887 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.6 mp -108.5 129.51 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.93 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.4 mp -115.12 152.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.35 111.116 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.58 120.77 31.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.01 128.97 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.5 111.175 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.7 t -130.03 139.15 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -106.56 115.22 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -151.81 90.33 3.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 72.14 110.949 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.65 23.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 73.13 112.377 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -57.89 -25.2 60.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 p -94.47 12.99 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 62.13 110.808 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -88.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 55.25 112.471 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.89 150.64 43.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 74.43 111.114 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.99 9.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.711 2.274 . . . . 70.4 112.327 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -67.84 -36.0 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 97.3 m -68.05 -46.08 72.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 73.31 111.138 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.62 -39.17 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.925 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -48.26 49.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.838 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.7 mt -56.94 -29.94 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 70.12 110.909 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.58 -49.02 78.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.929 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -29.47 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.837 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.9 m -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 75.52 110.843 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.25 -23.49 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -65.19 -39.49 92.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -62.13 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.91 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -22.85 44.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.51 111.119 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.43 -22.93 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.21 -55.55 38.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 63.14 111.103 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.78 -34.79 13.81 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 73.14 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -41.13 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.35 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.4 p -101.6 61.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.135 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 125.24 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.05 110.933 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.02 53.23 19.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 63.21 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.61 158.23 38.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 75.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -102.43 82.9 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 75.4 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.36 116.51 4.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 72.13 112.465 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.45 132.53 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 74.43 111.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.82 116.86 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.81 142.79 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.42 111.122 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -97.65 155.99 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 64.2 -160.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.879 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.29 -26.02 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.33 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.5 m -59.88 -24.97 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.848 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.12 42.48 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 74.02 112.495 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.33 32.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 73.3 110.894 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -89.33 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.857 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.03 -47.67 64.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.926 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.48 -33.43 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 75.02 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.79 -40.59 79.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.05 -47.03 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.13 111.121 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -64.48 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.858 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -38.0 79.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 75.21 110.855 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -48.68 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.07 -37.85 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 73.13 111.132 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -71.56 -32.34 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.8 t -82.0 -31.19 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.864 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.83 47.23 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.833 0.349 . . . . 74.35 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.65 152.48 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 72.32 111.128 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 mpt? 52.12 83.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 65.3 110.886 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.94 84.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 72.54 112.505 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.7 140.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 72.11 111.109 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 137.76 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.826 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.31 125.99 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.15 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.8 160.73 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.062 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.19 -39.98 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.9 -41.13 81.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -66.09 -44.91 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.932 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.64 -46.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.108 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -65.03 -42.38 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -46.39 85.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 72.43 111.147 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.69 -40.24 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.907 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.02 -45.81 86.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.12 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.72 -37.08 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -57.98 -44.64 87.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.93 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -24.16 67.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.884 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.66 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.24 110.858 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 46.63 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 75.41 110.915 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.896 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -76.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.841 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.94 -64.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.871 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.03 148.39 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.31 110.923 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.95 122.6 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.21 111.109 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.89 129.94 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 75.15 111.16 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -131.04 152.99 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 62.3 110.886 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -133.31 163.76 28.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.7 mt -85.71 124.73 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 62.02 111.155 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -114.06 139.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.108 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLN . 18.9 t0 56.64 23.22 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' ASP . 16.8 pt20 38.34 47.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.921 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -165.23 -38.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -122.96 127.07 48.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.833 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.8 mt -82.11 131.17 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 74.21 111.139 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.32 165.32 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 70.25 111.083 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.01 135.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 72.02 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -50.61 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 m -160.66 105.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.45 111.139 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.4 tt -95.89 147.6 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.138 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.34 179.74 21.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.526 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.06 71.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 65.13 110.867 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 52.27 33.75 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.56 -39.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 74.43 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.78 107.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 72.52 111.067 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -71.72 162.66 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 65.22 110.872 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.24 -46.54 89.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 54.34 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.76 -31.51 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 70.41 110.912 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -65.97 -46.53 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.8 mm -71.05 -44.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 70.33 111.122 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -59.41 -40.49 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.908 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.36 -53.22 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.11 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.3 tt -68.85 146.9 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.176 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.48 118.05 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.868 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -69.35 90.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.961 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -179.33 -74.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -59.65 155.28 40.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 73.32 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 87.08 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 75.03 112.319 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 17.9 p -109.96 156.12 20.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.43 110.854 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -128.76 130.19 46.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.881 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.2 126.27 53.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 75.34 111.122 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.52 136.07 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -137.44 127.58 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.895 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.08 125.55 40.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 65.4 110.836 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -139.16 135.85 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.827 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.95 147.32 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.15 110.918 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.2 175.97 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.914 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.3 t -120.37 50.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 73.53 111.153 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -77.61 -41.08 39.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.148 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -78.75 -36.63 42.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 75.23 110.876 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t70 178.22 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 71.21 110.83 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.89 -78.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.814 -0.708 . . . . 73.1 112.512 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 73.03 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 75.24 112.315 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 149.29 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 75.11 110.849 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.53 134.61 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.851 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 134.19 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.878 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -108.81 133.0 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.919 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.84 160.52 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 70.15 111.128 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -135.54 125.98 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 71.33 110.911 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.04 129.8 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 73.53 111.094 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.41 138.36 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.832 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -102.86 115.07 29.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.944 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.13 92.27 1.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 72.13 110.866 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 139.43 40.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 74.44 112.33 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.56 -22.93 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -102.53 13.64 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 61.54 110.865 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.53 -89.67 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 51.45 112.466 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.79 152.14 51.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 71.32 111.084 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.69 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 72.23 112.314 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.7 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.45 110.889 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.0 p -63.41 -45.84 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.5 111.177 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -57.79 -44.91 86.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -42.7 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.901 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.04 -29.52 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.902 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -58.63 -49.14 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.928 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -26.59 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.2 110.861 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 t -67.35 -21.93 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 63.33 110.858 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.29 -19.38 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.86 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 73.53 110.835 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.14 -36.34 82.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.9 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.25 -22.97 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -25.98 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.02 -55.6 29.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 74.31 111.102 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.78 -30.45 22.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 62.44 112.374 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.26 -34.29 77.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 64.22 110.939 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.9 p -126.61 64.77 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 71.21 111.109 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.53 122.4 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.83 7.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 60.45 112.493 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.31 158.34 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 73.34 110.871 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.87 89.89 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.97 113.35 4.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 72.34 112.494 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.44 138.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 73.1 111.127 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.04 118.72 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.92 129.45 14.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 64.1 111.095 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -98.76 157.51 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.842 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.3 -163.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 71.42 110.84 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.21 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.14 111.157 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -23.31 63.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.71 16.38 43.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 75.24 112.476 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 mt -130.01 23.69 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 75.11 110.896 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.31 95.97 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.844 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -52.07 -41.1 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.887 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.6 -31.8 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.71 -44.28 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.19 -47.17 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 75.12 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.1 p -62.81 -40.12 96.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 61.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -36.13 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 74.21 110.851 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -67.29 -48.39 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.883 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.99 -37.92 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.53 111.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -66.76 -28.4 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 75.41 110.939 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.8 t -88.25 -31.36 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 56.26 30.56 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 73.42 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.81 0.338 . . . . 75.22 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.5 32.36 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 73.53 111.106 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.5 mmm 59.05 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -178.03 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.827 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.92 -30.86 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 73.3 112.509 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p -51.2 122.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 73.04 111.112 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.62 33.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.846 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -73.39 122.28 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.182 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.07 156.13 28.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.085 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -53.48 -29.8 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -60.31 -41.85 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.912 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -45.13 80.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 64.53 110.862 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.69 -45.72 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 62.54 111.174 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -65.87 -43.12 89.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 75.32 111.098 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.36 87.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 55.52 111.11 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.0 -41.19 78.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.927 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -45.99 84.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.907 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.63 -37.97 70.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.01 -36.89 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.918 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -24.6 67.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.86 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -96.86 17.6 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.01 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 62.12 46.87 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.921 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -32.65 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.886 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 52' ' ' GLU . 0.6 OUTLIER -155.69 -84.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 72.22 110.861 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -153.14 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -144.57 155.68 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.905 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.87 124.47 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.136 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.34 124.25 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 75.14 111.131 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.21 155.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.89 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -137.22 168.27 19.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 73.53 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mt -85.72 126.44 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.123 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -109.46 129.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.112 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 62.36 16.14 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 73.04 110.865 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 48.81 31.4 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.933 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.01 -41.33 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.893 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.93 126.89 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.34 110.86 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.1 mt -80.66 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 72.44 111.127 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 159.21 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 73.45 111.089 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.3 m -77.11 138.35 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.31 111.143 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -44.39 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.891 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -161.46 119.62 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.126 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.7 pt -101.32 147.75 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.12 111.118 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.35 133.74 11.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 62.42 112.486 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 32' ' ' SER . 33.8 mt-10 -121.67 45.68 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 74.13 110.875 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 63.04 16.34 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.83 6.29 3.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 63.23 112.503 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.42 112.62 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 70.05 111.15 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 164.15 26.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -69.36 -41.05 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -46.94 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 54.15 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -70.15 -31.48 69.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.06 -47.53 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -35.61 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 65.15 111.135 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.79 -40.75 96.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 75.12 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.98 -51.44 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -67.79 132.77 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 74.31 111.102 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.51 117.36 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.08 90.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -179.33 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 74.24 110.912 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 m -64.53 154.71 83.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 72.23 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.91 5.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 74.14 112.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.7 m -140.67 149.71 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 63.44 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.16 131.46 47.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.919 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 126.76 47.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.35 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.79 127.55 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -115.3 127.46 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.878 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.09 120.55 39.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -117.73 119.14 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.6 122.02 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.842 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.42 176.12 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.89 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -131.2 48.51 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 74.33 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 m -78.63 -45.55 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 65.04 111.14 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 92.7 m-20 -55.62 -39.02 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.896 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER 167.46 -47.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.858 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.1 166.33 14.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 73.54 112.498 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.29 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 72.42 112.366 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.27 175.23 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -145.19 134.55 23.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 44.11 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.7 140.58 46.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.884 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 7.4 mp -107.93 132.12 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.93 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mm -114.93 148.25 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.1 111.125 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.59 120.12 26.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.945 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.49 122.25 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.145 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.4 133.79 45.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 74.33 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -99.17 115.51 29.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 74.2 110.957 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.77 86.44 1.09 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 75.4 110.898 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 132.4 23.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 75.31 112.368 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -58.11 -25.03 60.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -98.73 13.25 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.865 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.36 -110.75 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 71.2 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.08 160.04 63.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 72.31 111.117 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 72.54 112.308 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.82 -35.77 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.1 p -64.59 -45.57 86.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 64.44 111.128 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -68.23 -37.77 81.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.22 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.3 tpt -70.06 -48.03 59.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.38 -30.16 62.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 74.43 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.96 -41.73 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -77.44 -39.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -66.02 -25.14 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 62.22 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 t -100.56 -20.57 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 63.13 110.889 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -39.23 89.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.87 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -41.27 99.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.866 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -24.45 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.49 -24.9 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.9 -55.41 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 74.21 111.109 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.43 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 75.41 112.394 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -32.62 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 65.34 110.946 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.2 p -129.94 51.83 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.116 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -85.38 123.34 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.898 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.06 8.36 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 54.31 112.465 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -123.86 141.55 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 75.12 110.913 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -62.66 94.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.42 112.96 4.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.455 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.1 mp -131.37 134.89 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 74.31 111.132 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 118.5 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 63.15 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.01 134.8 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.51 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.06 156.59 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.3 t0 63.14 -162.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.843 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.14 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.33 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -24.09 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.819 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.98 1.06 38.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 63.43 112.464 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.7 mt -114.3 23.58 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 74.41 110.934 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -86.55 97.82 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.841 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.34 -40.75 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.833 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -57.43 -33.96 68.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.39 -40.47 85.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 75.53 110.874 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.97 -47.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 74.22 111.144 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.6 m -61.9 -40.41 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -69.45 -36.44 76.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -64.66 -48.66 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.885 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.3 p -67.86 -37.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.154 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -70.66 -30.87 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.892 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.2 t -68.97 -36.95 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.857 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.23 28.99 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 71.32 110.9 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.841 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.9 ptm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 75.31 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.22 33.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.42 111.069 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 mmt -52.1 -31.37 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.35 110.843 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m 53.24 87.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.899 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.6 25.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.747 -0.74 . . . . 74.45 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.12 136.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 74.35 111.112 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.06 137.62 18.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 63.44 110.885 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.8 124.68 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.131 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.69 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 61.41 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -58.03 -36.76 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -41.86 81.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.917 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -64.1 -44.97 90.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.7 -51.85 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 64.42 111.08 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -59.67 -43.09 94.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 64.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.36 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 64.22 111.1 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.08 -42.97 99.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.894 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.1 -45.85 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.35 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -41.53 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.892 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 tp -60.46 -36.08 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.91 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.46 -25.44 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -100.3 20.3 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 60.44 46.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 74.14 110.884 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -32.67 71.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -76.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.843 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -175.91 -68.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -144.84 152.34 40.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.893 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.8 m -130.32 124.82 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 71.44 111.112 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mt -103.02 128.32 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 72.45 111.145 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -120.46 148.25 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -128.37 151.4 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.3 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.7 mt -84.81 122.07 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.14 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.4 t -105.93 135.19 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 71.21 111.116 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.2 m-20 50.98 32.57 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 73.23 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.537 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 30.16 52.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.908 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -164.25 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.42 110.936 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -125.22 127.16 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 63.52 110.893 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 73.3 mt -81.69 131.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.175 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.6 157.26 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 74.31 111.103 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.06 133.55 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.114 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -102.24 -56.85 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.931 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -161.37 112.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 71.54 111.17 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 tt -96.25 144.69 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.54 111.128 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.97 -168.3 33.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 73.54 112.509 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -174.09 46.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 74.53 110.886 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.89 -61.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.924 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.6 -12.84 57.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.486 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.31 116.8 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.24 111.083 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -78.22 167.63 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.873 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -32.96 72.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.22 -46.98 84.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.98 -36.69 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.921 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -61.98 -48.06 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 62.24 110.898 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.61 -43.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 71.32 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.47 -37.86 79.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 72.3 110.888 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.26 -55.41 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 75.42 111.075 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.92 134.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 70.54 111.128 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -123.27 123.32 40.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -72.37 79.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.914 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -179.53 -57.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.42 153.08 61.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 72.02 111.098 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 115.26 4.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 73.13 112.327 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.8 p -140.38 141.97 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 63.41 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -129.17 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.945 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.69 133.22 56.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 72.3 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.81 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.3 111.107 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.6 127.37 56.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.31 120.15 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.55 110.864 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -121.56 166.68 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 74.44 110.854 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.41 147.2 35.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -150.58 176.0 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.934 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -128.54 50.9 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 72.04 111.116 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -77.54 -39.22 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.2 111.164 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -78.46 -36.3 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 74.53 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.29 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -168.54 -77.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 71.34 112.518 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 74.03 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 71.1 112.4 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 149.35 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.54 110.835 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -138.49 135.41 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 136.59 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 73.3 110.881 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.53 134.36 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 75.22 110.923 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.77 150.64 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 75.22 111.092 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.03 119.01 33.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.921 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.8 130.06 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.129 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 138.44 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -120.78 114.84 22.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.899 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 178.96 140.35 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 70.44 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.5 23.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 75.31 112.35 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -20.42 65.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.31 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -108.74 13.84 24.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 63.15 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 -98.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 73.4 112.51 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.2 159.8 55.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 74.22 111.047 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.633 2.222 . . . . 75.03 112.338 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -68.29 -41.37 81.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 70.21 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.4 p -65.33 -43.99 89.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.34 111.14 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -57.89 -48.16 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.907 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -31.57 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.871 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -30.15 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.903 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 -39.54 21.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.811 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -28.13 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 65.05 110.842 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.7 p -99.34 -24.59 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.881 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -39.38 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -42.05 97.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.856 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.99 -22.99 44.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.116 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -24.79 31.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.89 -55.33 34.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 64.21 111.158 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.77 -33.13 17.18 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 54.14 112.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.43 -45.59 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.02 110.858 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 p -109.74 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.101 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 122.49 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 75.12 110.959 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.56 29.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 60.1 112.467 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -128.87 157.09 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 53.1 110.88 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.65 137.58 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.94 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.78 120.53 4.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 54.52 112.566 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.41 136.11 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 74.45 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.76 126.86 53.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.51 131.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.087 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.76 156.02 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.26 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.27 13.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 55.53 111.122 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -23.23 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 60.54 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.28 31.56 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 73.43 112.482 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 15.4 mt -146.67 22.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 74.3 110.91 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.64 96.02 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -44.35 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.926 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.49 -33.27 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -40.98 83.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.883 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.8 mm -67.76 -47.18 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 75.25 111.11 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -39.74 94.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.31 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.11 77.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 73.41 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -65.06 -48.44 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.79 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.5 111.136 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.81 -35.69 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 71.1 110.859 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -68.09 -33.71 75.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.837 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 62.25 47.01 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.887 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.728 0.299 . . . . 71.14 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.52 113.06 22.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 71.31 111.094 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.4 mtm 56.01 29.99 15.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.848 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -167.23 73.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 64.1 110.847 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 -30.27 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 64.44 112.481 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p -51.06 122.47 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 74.35 111.116 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -142.98 137.56 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.6 p -73.53 122.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.106 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 155.42 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.105 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.31 -36.89 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.854 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.81 -37.76 74.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 65.32 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -68.7 -45.05 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 65.1 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t -58.71 -52.25 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.179 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -62.86 -41.25 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 71.43 111.174 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.86 86.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 73.21 111.113 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.46 -41.57 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.07 -46.21 82.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.888 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -71.49 -41.28 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.851 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.93 -35.29 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.924 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.48 -24.9 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.84 19.1 15.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 70.14 110.847 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt 62.04 47.01 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.864 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.12 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.886 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 -78.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.843 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 179.17 -72.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.911 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.56 141.4 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.921 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.67 118.73 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 72.31 111.159 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 mt -108.52 137.04 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 75.53 111.148 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.99 156.08 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.852 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.22 165.12 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.12 110.851 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.1 mt -85.82 126.07 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.126 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.8 t -108.85 132.8 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.13 111.069 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER 51.18 33.95 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.898 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.545 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 29.43 54.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.924 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -164.6 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 127.33 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.86 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.3 mm -81.46 131.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 74.3 111.149 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.87 166.02 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.117 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.19 138.57 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 65.44 111.103 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -109.8 -56.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.1 p -150.04 101.05 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.142 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.4 tt -96.62 139.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.197 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.46 -171.12 22.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 43.21 112.505 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.98 -51.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 64.42 110.895 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 179.1 33.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.12 21.09 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 73.04 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.89 99.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.32 111.097 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.59 170.66 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 64.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -69.42 -33.79 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.926 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.69 -47.03 87.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -68.52 -31.56 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.902 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -65.31 -50.03 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.89 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.68 -36.16 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.54 111.153 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -40.47 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.824 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.92 -52.09 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.094 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 20.4 tt -72.19 147.35 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.5 111.133 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.42 131.52 41.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 61.51 110.87 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 88.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.46 -74.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.45 110.904 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.94 152.41 95.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 74.23 111.123 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 72.01 112.337 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.1 p -174.7 148.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -128.99 134.32 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.91 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.75 116.52 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 74.02 111.079 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.65 109.52 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 64.54 111.102 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -113.44 141.17 47.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.35 110.877 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -91.74 124.43 35.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 60.34 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.45 174.37 7.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.902 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.11 147.32 36.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.901 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -148.28 164.59 33.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.935 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -119.82 50.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 74.33 111.129 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.7 t -77.26 -40.92 42.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.175 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -78.71 -35.7 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.878 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.62 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 73.43 110.88 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.47 -79.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 64.31 112.506 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 72.43 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 61.13 112.363 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.49 149.38 41.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.88 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -113.19 134.57 54.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.21 122.42 12.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.965 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.36 138.01 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 72.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.2 mp -119.21 148.98 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.54 111.13 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.92 119.9 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.55 110.927 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.7 mt -109.06 125.52 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.112 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.8 138.77 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.823 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.86 115.31 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.925 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -151.9 79.37 6.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 64.22 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.24 22.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 65.34 112.356 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.46 -21.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.845 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -104.0 13.67 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.811 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -103.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 52.42 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.2 159.94 47.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 73.31 111.105 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -38.17 8.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 75.41 112.355 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.5 mtm180 -68.09 -44.81 75.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.87 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.0 t -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.15 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -58.01 -48.29 80.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.22 110.898 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -38.86 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.43 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mp -55.06 -36.26 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.89 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.05 -42.23 89.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -38.61 58.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.828 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 -24.41 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 71.03 110.906 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 m -101.7 -19.95 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 60.04 110.857 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -63.2 -39.38 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.906 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.19 90.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.53 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.08 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.17 -22.28 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.94 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.11 -55.62 32.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 73.42 111.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 64.43 112.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -48.05 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.929 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -110.71 62.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.157 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -85.46 122.7 29.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.13 -41.08 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 75.1 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.04 135.43 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 70.11 110.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -64.22 96.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.13 110.887 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.41 114.85 4.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 63.23 112.478 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.49 138.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 73.53 111.132 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -105.48 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.77 132.68 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.097 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -100.78 155.91 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.867 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.84 -163.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.891 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.01 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.081 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -21.36 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 62.45 110.865 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.37 18.18 56.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 75.04 112.528 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.57 20.42 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 75.41 110.919 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.24 107.38 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.884 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 74.4 110.93 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.76 -37.76 85.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 72.43 110.896 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -67.1 -43.26 82.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.45 -47.17 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 73.13 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 52.11 110.84 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -66.1 -36.64 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.92 -48.49 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.889 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.78 -37.84 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -61.31 -35.37 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 72.04 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.3 t -88.01 -26.39 22.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.85 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 56.28 26.41 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 72.2 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 31.5 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.774 0.321 . . . . 72.23 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.82 84.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 54.31 111.087 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.7 mmt -95.64 156.84 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t -165.24 93.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.851 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.65 -30.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 62.5 112.48 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.4 p -50.61 118.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 74.1 111.113 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.95 137.55 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.84 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.99 128.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.148 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 160.74 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 70.43 111.091 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.25 -42.94 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.32 -34.43 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.89 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -71.67 -40.34 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 71.22 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -50.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.151 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -44.36 85.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.15 85.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.079 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.29 -41.05 77.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -57.91 -46.42 84.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.875 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.11 -36.87 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.12 -36.24 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.892 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.887 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -98.82 20.74 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 62.33 46.67 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -48.18 24.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 73.32 110.849 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.51 -79.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.844 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 177.2 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.889 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.38 136.8 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.904 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.02 126.01 65.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 63.31 111.138 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.0 mt -102.98 129.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.126 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -125.87 151.15 47.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.52 110.835 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -131.96 164.03 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 64.21 110.841 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.85 126.25 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.116 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.2 t -110.59 127.86 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.23 111.158 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.05 15.66 8.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.857 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 48.62 33.12 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.9 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -146.3 -40.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 72.25 110.86 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -123.25 127.42 48.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 72.11 110.833 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.4 mm -81.18 131.55 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.25 111.105 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.91 165.33 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 63.43 111.105 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.34 138.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.12 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 -49.24 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.913 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -161.64 112.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.43 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -95.6 147.8 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 74.42 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.38 -64.67 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.476 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 39.25 45.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 74.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 63.83 54.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.81 -38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.47 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 115.79 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 63.34 111.079 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.88 178.25 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -42.6 82.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.896 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -41.55 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.858 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -74.47 -31.0 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.52 110.92 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.01 -45.87 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.59 -44.13 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.3 111.158 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.63 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.11 -51.1 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 73.31 111.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.1 mm -72.51 124.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.145 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 165.99 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.81 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 98.2 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 71.41 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.88 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.48 154.3 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 73.54 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 112.36 3.06 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 75.51 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.9 139.51 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -128.85 131.67 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.945 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.63 127.2 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 60.12 111.15 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.95 110.87 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.02 111.055 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -116.26 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.848 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.66 129.35 41.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.22 165.3 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.881 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -120.29 135.42 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.912 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -153.22 169.99 21.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.872 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -105.82 60.88 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 73.11 111.145 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -77.37 -49.76 14.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.163 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.79 -35.51 51.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 71.55 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.878 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.58 -78.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 75.51 112.487 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.83 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.721 2.281 . . . . 65.5 112.385 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.71 149.4 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 74.54 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -134.05 140.58 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 123.02 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.42 110.915 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.76 131.77 36.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 74.32 110.906 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.6 mm -119.9 148.73 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.096 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -118.39 119.92 36.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.903 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.37 127.37 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 72.34 111.118 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.72 136.63 46.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -123.85 117.25 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 74.51 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.64 151.38 0.54 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 71.43 110.914 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 131.83 22.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 72.44 112.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.92 -36.63 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.901 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.66 13.79 29.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 60.21 110.846 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.88 -89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 73.41 112.499 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.54 160.24 63.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.713 . . . . 73.33 111.088 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 75.05 112.34 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -68.23 -38.84 82.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 65.24 110.854 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.5 p -62.8 -45.83 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.129 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -48.34 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.857 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -30.6 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.11 110.844 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 mt -66.97 -31.06 71.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 73.34 110.894 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.58 -48.82 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.829 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 t -56.52 -40.34 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.4 p -75.28 -26.26 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 74.22 110.836 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.887 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.83 -37.16 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.812 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.54 -29.04 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -23.36 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.934 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.565 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.47 -55.62 27.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 74.22 111.121 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.69 -33.08 17.56 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 73.04 112.349 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -42.35 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 65.45 110.912 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -112.49 65.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 72.51 111.113 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.49 122.52 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 75.15 110.936 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.33 -41.73 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 71.52 112.507 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.13 151.89 43.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 75.12 110.846 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.53 127.7 46.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.898 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -110.78 127.07 8.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 73.25 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.71 138.63 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 71.23 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.73 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 73.54 110.913 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.52 138.94 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 53.42 111.123 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.69 153.91 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.04 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.32 -161.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 63.22 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.87 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.22 111.126 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -23.63 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.84 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -116.14 29.2 7.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 70.42 112.487 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 19.2 mt -147.48 18.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 73.11 110.918 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.47 96.06 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -52.18 -39.79 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 64.44 110.844 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -67.61 -31.79 72.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.898 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.58 -47.48 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.32 -37.58 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.137 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.7 p -67.08 -43.06 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -34.3 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.88 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -67.26 -48.93 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.906 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.17 -37.28 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.137 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -61.0 -34.83 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.905 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.6 t -86.65 -35.41 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.13 110.839 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 54.25 61.94 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.847 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 75.51 110.868 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.767 0.318 . . . . 74.22 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.83 -75.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.33 111.064 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.9 mtt -102.64 105.1 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 70.13 110.918 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -74.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.859 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.91 32.22 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 64.01 112.433 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.0 p -51.35 136.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 74.04 111.119 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.81 140.76 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 73.45 110.848 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.16 126.0 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 75.43 111.109 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.21 154.73 27.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -34.09 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.885 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.4 -41.77 80.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.3 m -65.19 -44.39 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -58.64 -52.32 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 73.24 111.121 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 m -60.01 -45.17 93.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.03 111.157 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.59 76.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.55 -48.4 64.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.53 -35.85 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -48.33 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.58 -45.47 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.937 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -66.53 -24.43 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 71.4 110.876 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.52 17.79 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.901 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 62.12 46.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.928 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -74.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -77.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.842 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.87 -65.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.03 110.915 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.9 153.45 41.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.912 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.17 124.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.124 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.28 135.84 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 73.44 111.079 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -136.25 156.07 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.889 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.71 167.96 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 73.13 110.875 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mt -85.7 121.0 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.161 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.23 130.7 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.13 16.11 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.84 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 48.47 31.44 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -142.13 -41.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -126.05 126.71 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -81.98 131.23 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 71.33 111.179 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.62 159.12 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.41 111.125 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.78 138.5 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.097 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -108.64 -41.18 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.894 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -161.19 101.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.183 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 tt -96.62 147.83 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.78 -172.52 24.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 64.2 112.481 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.92 58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 72.44 110.861 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 58.13 27.32 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.88 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.06 -39.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 74.33 112.531 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 115.95 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 72.2 111.079 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.12 161.12 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 73.1 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -69.39 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.7 -46.76 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -67.86 -37.14 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -59.2 -51.56 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.86 -36.1 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 71.41 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.52 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.12 -51.03 13.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.35 141.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.124 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -116.49 -172.11 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.862 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -128.44 86.09 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.03 110.891 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -173.86 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.898 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 m -88.46 154.44 51.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 63.24 111.155 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 115.27 4.02 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 71.45 112.319 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 t -124.73 148.38 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -126.13 129.96 50.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.901 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.26 126.23 53.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 73.11 111.098 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.78 113.8 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.55 111.124 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -111.25 126.75 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.926 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -91.96 118.8 31.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -121.87 105.65 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 65.4 110.85 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.49 119.81 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.91 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.73 176.0 12.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 75.42 110.914 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -91.58 44.9 1.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.12 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -78.18 -39.11 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.55 111.163 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -78.58 -37.58 42.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.914 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.17 -55.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.44 110.885 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -125.18 -159.8 10.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 61.33 112.528 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 73.2 112.379 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 176.46 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.863 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -140.57 134.58 30.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 64.32 110.881 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -132.35 121.75 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.3 130.46 40.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.875 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.86 148.91 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 75.23 111.112 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.37 119.62 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 72.01 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.22 127.11 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.01 111.112 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.41 121.76 42.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.829 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -103.31 113.29 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.88 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 t30 176.71 141.5 0.23 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.729 . . . . 73.02 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.41 23.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 75.43 112.331 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -21.23 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.83 14.24 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.841 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.69 -96.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 64.05 112.503 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.38 159.86 58.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 75.13 111.048 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -46.72 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 70.11 112.334 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -67.96 -32.61 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.88 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.0 p -72.2 -46.48 56.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.132 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 -35.11 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.45 110.89 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.58 -45.97 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 73.54 110.897 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mp -55.15 -30.03 58.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 75.14 110.956 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.51 -35.54 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -53.03 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 72.31 110.84 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -52.35 -42.1 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.816 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -79.29 -24.84 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -39.39 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 75.3 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.1 -43.32 95.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 -22.86 44.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.4 mt -83.71 -21.27 32.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 74.34 110.873 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.557 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -56.7 -55.39 43.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 74.1 111.116 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.72 -35.7 12.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 74.42 112.343 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 26.3 tp -66.37 -46.01 78.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 73.24 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 48.5 p -100.85 62.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.72 122.65 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.2 -24.66 29.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -81.68 137.39 35.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 75.42 110.922 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -78.16 103.79 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.69 101.66 2.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.669 -0.776 . . . . 72.33 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.6 pt -124.64 138.62 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 73.01 111.138 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.18 122.65 46.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.23 127.39 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.097 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.76 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 63.71 -164.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.867 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.84 11.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m -58.93 -21.91 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.77 -18.23 58.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 63.42 112.472 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 mt -98.25 18.41 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 65.53 110.953 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -71.29 95.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.865 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.31 -42.79 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 72.25 110.893 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.57 -34.2 70.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.875 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.18 -40.04 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.93 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.33 -47.19 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.111 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 m -64.07 -38.23 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 72.41 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.69 -35.94 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 75.03 110.849 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -48.15 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.889 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -37.99 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 72.42 111.131 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.09 -35.71 80.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.915 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 m -69.0 -34.36 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 64.55 110.846 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 51.83 30.24 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.913 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mtp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.77 0.319 . . . . 70.12 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.84 -73.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.068 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -73.51 133.72 43.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.893 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.19 -43.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.911 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.53 -32.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 75.5 112.479 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 p -50.94 121.44 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 71.42 111.132 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.08 138.65 30.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.4 129.68 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.113 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 157.53 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.23 111.072 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.97 -36.89 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.868 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.38 -44.18 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.4 t -61.94 -45.38 93.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 73.25 110.882 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.42 -44.03 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.137 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.7 m -63.32 -46.88 84.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 72.01 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -43.74 86.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 72.44 111.101 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 mt -68.99 -32.47 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.926 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.76 -46.3 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 70.34 110.917 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.53 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.897 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.56 -34.61 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.936 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -62.99 -24.54 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.839 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 11.16 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 33.2 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 71.5 110.91 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 72.44 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 p -65.85 -94.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.871 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -143.78 144.12 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 61.45 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.0 t -130.47 117.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.24 111.126 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mt -102.98 130.22 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 75.42 111.128 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.3 156.04 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.885 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.59 168.61 18.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.0 mt -85.67 127.19 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 72.34 111.147 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.9 t -108.55 128.08 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 64.33 111.152 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.0 16.49 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 48.76 31.23 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 64.1 110.932 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -141.66 -41.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.936 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.36 126.87 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.2 mt -80.44 131.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.34 111.177 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.29 154.34 49.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 63.52 111.093 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.29 138.2 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.52 111.11 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -102.38 -42.44 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.943 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -162.78 108.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 73.13 111.163 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.2 tt -100.43 133.36 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 74.21 111.135 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.57 -151.88 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 72.02 112.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -179.63 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.4 110.931 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -148.09 -41.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.6 86.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.462 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.58 135.5 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 74.35 111.118 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.47 150.65 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.23 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -46.99 82.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.47 -35.4 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.856 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.83 -51.59 68.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.85 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.72 -32.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 51.41 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.01 -49.72 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 65.02 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.26 124.32 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 74.22 111.147 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.72 172.11 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 52.52 110.849 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -111.85 86.58 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -179.23 -67.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.862 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 m -82.62 154.44 68.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 74.21 111.11 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 124.28 10.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 73.45 112.368 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.33 139.14 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -130.14 140.81 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.956 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -124.87 136.42 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.136 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.59 120.03 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.12 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.46 130.91 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.51 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 121.34 43.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.874 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -120.95 115.43 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 71.23 110.877 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.05 130.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.54 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -153.18 162.09 41.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 70.11 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -86.69 62.8 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 75.3 111.162 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.7 p -77.83 -49.99 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -78.0 -36.46 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 178.71 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.908 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 179.61 -80.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 71.51 112.46 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 68.79 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.691 2.261 . . . . 65.13 112.347 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 149.3 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 74.44 110.868 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.19 142.71 29.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 139.76 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.896 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mp -108.59 134.94 50.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -123.36 149.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.125 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 tp -119.0 119.44 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 73.35 110.966 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.53 127.35 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.122 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 138.54 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 62.1 110.833 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -117.54 113.92 22.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.915 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 176.08 144.26 0.24 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 74.54 110.862 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 71.43 112.342 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.89 -21.47 66.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.19 14.48 24.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.889 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.32 -103.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 64.21 112.514 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -119.73 160.34 42.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 74.45 111.125 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.48 6.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 72.45 112.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.77 -37.07 81.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.03 110.831 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 99.0 m -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 63.53 111.099 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -41.0 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.919 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.1 mtt -69.2 -47.55 64.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.866 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.08 -31.9 61.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.13 -33.97 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 64.51 110.925 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -91.95 -40.09 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 71.35 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -42.54 99.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 64.21 110.837 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.4 t -79.98 -25.7 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.846 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -56.04 -39.28 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.921 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.85 95.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 63.34 110.844 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -24.25 43.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.68 -22.78 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.29 -55.34 38.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 64.43 111.141 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.74 -34.96 13.6 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 74.25 112.372 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.45 -39.43 88.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.944 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 47.4 p -130.37 63.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.21 111.155 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.38 135.41 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.9 2.28 23.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.19 158.11 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 74.33 110.887 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -100.35 121.57 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.917 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.57 120.43 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 63.02 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.5 mp -131.49 120.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.21 111.158 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.499 ' NE2' ' H ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -84.79 136.63 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.906 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.84 128.07 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.079 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -97.59 161.86 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.04 -163.83 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.79 -26.21 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 62.22 111.067 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -20.34 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 72.2 110.856 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.68 9.09 72.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 71.12 112.5 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.8 mt -137.54 18.44 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 70.04 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.08 96.09 5.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.883 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -54.24 -40.14 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.52 -32.94 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.922 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -40.63 80.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 67.2 mt -67.56 -47.16 81.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.135 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -37.94 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.876 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.42 -38.1 77.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 74.13 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -48.55 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 73.43 110.895 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.97 -37.85 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.107 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -35.2 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.13 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.9 m -80.22 -33.26 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.31 110.846 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 52.15 30.49 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.791 0.329 . . . . 74.32 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.04 -175.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.113 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtm 62.5 165.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.89 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -174.47 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.849 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.6 -33.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.505 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.2 p -51.11 120.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 75.23 111.115 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.99 139.52 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.841 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.23 126.09 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.23 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.26 160.75 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.32 111.131 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -28.45 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.12 110.833 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -57.38 -44.84 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.901 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.23 -42.96 96.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 64.43 110.889 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.59 -48.37 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.129 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.3 m -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.11 111.085 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 55.14 111.107 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.72 -39.92 84.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 72.51 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -45.9 86.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -71.53 -38.05 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 tp -57.41 -44.4 84.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.911 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -63.71 -24.08 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.837 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.22 19.05 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.04 110.887 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.1 46.62 6.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.31 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.64 -43.57 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.907 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.92 -76.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.84 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.86 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -145.33 155.38 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.909 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.73 127.53 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 70.35 111.108 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.3 mt -105.51 122.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.089 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -110.27 147.07 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.32 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -128.37 148.28 50.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.806 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -85.21 119.89 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.168 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.78 132.84 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 70.43 111.136 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.29 24.5 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.83 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 39.43 40.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 71.32 110.968 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -149.23 -40.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.51 126.8 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.833 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.0 mt -84.21 131.09 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 72.01 111.127 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 154.2 47.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.3 111.105 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.21 136.41 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 75.24 111.113 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -47.19 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.947 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 96.0 m -161.37 109.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.13 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.4 tt -96.7 147.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.44 111.147 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.88 -178.79 30.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 53.13 112.467 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.93 122.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 62.23 110.933 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 33.62 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 72.15 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.96 74.34 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.13 163.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 75.14 111.058 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.26 150.73 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -41.76 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.868 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.72 -36.97 85.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.818 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -46.47 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -59.35 -48.46 81.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.87 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.0 mm -67.33 -41.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 75.54 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.94 -38.7 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.04 110.871 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.94 -55.47 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 74.11 111.106 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -66.87 142.18 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.129 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.13 169.41 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 64.25 110.852 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -115.85 82.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.41 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 69' ' ' PRO . 12.7 m -80.02 153.12 74.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 73.54 111.098 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HD2' ' HB ' ' A' ' 68' ' ' VAL . 54.0 Cg_endo -69.73 100.72 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 75.12 112.356 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -113.23 140.79 47.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.93 129.61 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.905 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.28 116.92 29.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.4 111.154 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.48 110.41 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.109 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -111.39 130.35 55.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 74.05 110.883 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.7 122.23 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.864 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.17 111.31 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.888 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.88 120.24 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.32 110.865 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -153.4 144.01 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.8 m -87.82 49.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 73.01 111.136 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 p -80.39 -42.79 22.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 73.15 111.178 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.78 -40.79 97.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 168.22 -46.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -121.93 177.4 16.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 71.55 112.49 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 75.05 112.379 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.08 152.98 26.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.864 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -134.69 134.56 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.918 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -137.33 129.15 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.41 110.876 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.84 132.03 45.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 70.54 110.939 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.96 148.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.35 111.12 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.36 118.9 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.95 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.24 130.52 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 74.23 111.092 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -101.35 128.21 47.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 54.43 110.861 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -113.92 114.2 25.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.908 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.05 153.35 0.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 75.42 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.74 21.91 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.246 . . . . 73.22 112.344 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.08 -40.6 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.14 13.9 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.82 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.73 -90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 54.14 112.482 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.01 159.95 66.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 72.0 111.071 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.02 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 72.22 112.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -67.91 -39.43 83.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 75.21 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.9 p -66.11 -38.88 89.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 65.13 111.118 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -68.1 -48.25 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 71.22 110.9 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.24 67.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 74.23 110.882 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.7 mt -54.98 -29.87 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.15 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.82 -47.51 71.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 73.3 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -45.14 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.849 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.7 m -56.19 -25.28 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.883 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -22.55 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.852 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -56.21 -39.35 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.54 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -43.65 92.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -22.9 44.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 73.12 111.098 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.6 mt -83.57 -19.47 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.916 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -58.9 -55.43 46.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.23 111.107 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.48 12.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 62.32 112.36 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.84 -47.72 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 28.8 p -101.78 50.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 122.59 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 106.47 -42.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.476 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.56 158.12 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 74.45 110.899 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -104.23 140.35 37.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.921 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.01 112.01 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 65.31 112.432 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.0 pt -114.92 134.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 73.41 111.124 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.99 121.72 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.924 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.29 133.38 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 72.13 111.129 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.7 155.83 16.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.06 -163.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.1 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.15 111.061 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -23.02 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.52 110.892 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -109.78 25.4 17.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 61.45 112.469 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.8 mt -144.08 23.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 75.44 110.9 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.03 105.84 18.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 73.15 110.885 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -52.1 -45.53 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.892 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.69 -32.14 67.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -41.04 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.901 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.52 -47.14 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 74.11 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -62.03 -40.56 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.83 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.84 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -64.42 -48.67 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.887 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.03 -37.81 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.136 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -65.0 -34.19 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.874 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -83.86 -30.9 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 40.98 40.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.848 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.01 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 73.15 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.46 147.17 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.838 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.8 p -73.32 122.92 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 62.42 111.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 160.75 31.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 52.22 111.102 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -56.62 -39.65 74.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.26 -41.48 79.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.9 -45.09 83.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.51 110.87 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.892 HG22 HD11 ' A' ' 116' ' ' LEU . 46.4 t -59.59 -39.86 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.104 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -70.48 -40.98 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.145 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.19 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 53.14 111.054 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.4 pp -69.18 -38.58 78.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.918 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.9 t30 -57.62 -46.99 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.6 -38.01 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 35' ' ' VAL . 2.5 tp -57.9 -36.07 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -62.74 -24.73 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.859 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 18.4 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.88 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 46.81 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.896 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.29 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 64.41 110.933 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.78 -77.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -174.45 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.802 ' HA ' HD21 ' A' ' 27' ' ' LEU . 35.8 p90 -144.37 154.86 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.95 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.857 HG12 HD22 ' A' ' 27' ' ' LEU . 10.0 p -131.01 129.76 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 63.23 111.084 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.8 HG21 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -114.59 123.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.158 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.83 156.1 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.844 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -132.15 166.81 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.22 110.872 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 69' ' ' PRO . 21.7 mt -85.72 128.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 73.31 111.11 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG21 ' HB3' ' A' ' 46' ' ' ALA . 23.6 t -112.4 128.11 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.14 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.04 16.46 8.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.34 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.53 ' CG ' HD11 ' A' ' 105' ' ' LEU . 38.4 mt-30 48.84 31.99 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.895 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.13 -41.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.92 126.9 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.849 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.489 HD11 ' OG ' ' A' ' 109' ' ' SER . 60.9 mt -82.88 131.6 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 75.01 111.13 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.98 156.85 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 52.1 111.072 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.27 138.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 65.24 111.131 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -105.4 -43.7 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.921 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 m -161.91 122.42 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 tt -98.65 146.9 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.146 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.19 -148.2 17.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 64.44 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.53 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 72.13 110.838 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -173.8 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.78 70.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 45.42 112.499 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.15 158.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 44.35 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.4 151.1 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 60.04 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.62 -33.9 76.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.68 -47.36 72.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.848 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.75 -36.74 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.907 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.99 -49.49 75.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.5 mm -71.58 -38.94 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 60.34 111.139 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.26 -40.55 86.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 62.04 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -53.23 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 51.22 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 HG21 ' A' ' 36' ' ' ILE . 41.9 mm -66.22 143.72 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.31 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.19 111.1 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 61.34 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -66.85 89.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 41.24 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.19 -72.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.3 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.18 154.39 95.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.693 . . . . 70.44 111.192 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.659 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.79 116.04 4.38 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.676 2.251 . . . . 72.03 112.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.9 m -132.58 155.85 47.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.873 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 90' ' ' LEU . 15.7 m-85 -128.95 130.3 46.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.91 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.27 123.74 40.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 61.14 111.069 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . . . -107.14 131.61 53.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 61.25 111.103 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -124.13 127.38 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.82 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -97.35 124.11 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 62.04 110.819 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -135.74 132.98 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 51.43 110.905 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.341 . . . . 74.41 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -132.02 134.65 45.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 62.52 110.889 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 129.61 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.909 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -108.6 137.81 45.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 62.44 110.937 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.1 mp -114.98 148.9 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.123 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -122.93 119.84 31.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.959 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.441 HG21 ' O ' ' A' ' 130' ' ' GLY . 5.6 mt -113.54 122.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t -101.16 138.51 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 41.34 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.601 ' HH2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -99.84 123.53 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.895 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -173.49 85.12 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 55.31 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.648 2.232 . . . . 73.42 112.353 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.11 -24.44 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -99.09 13.47 32.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.874 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.27 -111.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 74.22 112.475 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -126.82 159.94 61.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 63.21 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.74 -47.87 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.4 112.322 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -64.21 -35.59 81.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.844 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.777 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.6 p -63.94 -45.48 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 50.11 111.18 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -36.09 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.907 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.34 -46.82 59.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.897 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.53 HD11 ' CG ' ' A' ' 42' ' ' GLN . 3.1 mt -55.11 -30.05 58.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 64.23 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.17 -42.99 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -35.35 62.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.856 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 t -67.39 -25.94 66.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 65.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -99.99 -25.24 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.31 110.867 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -39.33 76.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.12 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -42.74 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.871 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.09 -23.03 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 mt -83.63 -22.06 32.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 54.41 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.84 -55.34 42.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 62.03 111.124 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.269 . . . . 74.33 112.329 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 21' ' ' VAL . 1.6 mm? -66.38 -47.74 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.898 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.5 p -96.21 62.54 2.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.153 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.12 122.6 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 18.66 41.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 74.42 112.468 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -129.34 131.2 46.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 73.33 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -68.23 104.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.93 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -97.29 117.43 5.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 72.11 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.42 138.58 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.11 111.107 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.85 116.85 30.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.591 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.15 128.48 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 52.21 111.132 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.98 160.05 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.54 -164.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.54 -26.48 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 61.33 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -24.63 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 51.43 110.859 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -93.87 -23.17 23.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.442 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD11 ' HH2' ' A' ' 93' ' ' TRP . 7.4 mt -105.97 24.61 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.11 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.99 97.2 4.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.876 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -51.8 -38.64 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.905 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.54 -36.9 81.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 61.4 110.843 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -37.53 80.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 140' ' ' VAL . 79.0 mt -68.27 -46.98 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 63.24 111.145 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.77 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.64 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.847 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -67.68 -48.7 65.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.858 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.44 111.12 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -65.49 -33.74 76.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 73.05 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 t -84.35 -34.0 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.818 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.87 55.58 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.911 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.86 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' VAL . 5.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.866 0.365 . . . . 64.52 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.66 152.73 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.687 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.35 122.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 51.24 111.096 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 160.72 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.118 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -55.26 -35.26 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.48 -45.08 85.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.72 -44.05 94.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.858 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 116' ' ' LEU . 21.8 t -58.7 -44.3 89.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.54 111.094 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -66.27 -43.42 86.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.54 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.16 -39.64 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.42 110.945 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -58.15 -45.91 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 60.11 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -37.13 70.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.05 110.806 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.019 HD23 HD21 ' A' ' 88' ' ' LEU . 6.7 tp -58.62 -42.9 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.944 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' CB ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.37 -23.85 67.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.908 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.24 20.62 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 mttt 62.53 46.62 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.854 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -57.62 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.34 -76.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -76.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 72.04 110.889 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD11 ' A' ' 27' ' ' LEU . 47.8 p90 -145.53 155.3 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.949 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.611 HG13 HD13 ' A' ' 27' ' ' LEU . 27.2 m -131.94 128.83 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.108 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 72' ' ' ALA . 11.3 mt -108.05 135.27 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 52.22 111.118 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.31 156.11 49.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.877 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -131.71 168.03 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.896 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.68 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.7 mt -85.74 124.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.118 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 46' ' ' ALA . 43.5 t -107.99 130.46 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 53.13 111.142 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.23 16.12 8.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 48.55 31.77 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.04 110.865 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -143.25 -41.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.98 126.74 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.856 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -81.19 131.62 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 50.11 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.765 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.88 160.35 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.11 111.094 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.41 138.23 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 64.23 111.111 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -108.27 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -162.99 121.89 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.51 111.132 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.557 HD12 ' HG2' ' A' ' 52' ' ' GLU . 21.7 pt -98.38 147.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.122 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -67.13 -58.76 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 63.23 112.546 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG2' HD12 ' A' ' 50' ' ' ILE . 17.0 mt-10 64.61 84.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 72.43 110.903 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.22 18.74 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.863 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.25 76.1 1.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 51.23 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' A' ' 59' ' ' GLN . . . -49.0 166.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 62.52 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.94 156.11 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -32.49 73.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -68.01 -47.4 68.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.05 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' CD ' ' HB1' ' A' ' 55' ' ' ALA . 13.5 pt20 -74.51 -34.98 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.919 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 64' ' ' ILE . 7.1 t80 -64.39 -48.54 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.2 mm -71.38 -43.23 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 64.34 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.17 -38.15 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.41 110.91 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -55.14 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.15 111.116 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 60' ' ' PHE . 4.1 tt -67.24 143.46 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.45 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -145.91 99.74 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.867 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 103.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -179.6 -71.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.87 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.513 HG23 ' SG ' ' A' ' 70' ' ' CYS . 17.1 m -78.09 154.19 79.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 65.14 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 109.18 2.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 73.32 112.356 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.513 ' SG ' HG23 ' A' ' 68' ' ' VAL . 34.8 m -126.61 157.94 37.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 90' ' ' LEU . 12.7 m-85 -129.19 129.85 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.936 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -123.83 129.46 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.558 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.7 130.12 54.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 72.51 111.11 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 88' ' ' LEU . 38.4 t80 -122.0 127.22 50.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.888 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.41 123.4 41.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -122.17 166.89 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 61.02 110.871 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.871 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 74.23 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.94 134.66 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.04 129.88 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.019 HD21 HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -100.45 133.9 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.03 110.878 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.541 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.84 148.68 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.117 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -120.61 119.69 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.32 110.887 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.09 122.25 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.136 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 p -101.37 137.65 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.858 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.415 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.5 m0 -99.82 115.39 29.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.95 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.95 88.72 1.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 71.13 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.42 23.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 73.32 112.361 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -22.67 52.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.85 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -101.82 13.65 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.858 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.49 -110.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 53.1 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -132.48 159.99 70.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 62.1 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.0 Cg_endo -69.73 -40.98 4.72 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 64.22 112.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -68.11 -32.6 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.02 110.869 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 99' ' ' ALA . 25.9 p -68.53 -46.23 70.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.147 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.4 -38.22 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.917 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -48.0 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.846 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.08 -31.01 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 65.52 110.958 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -59.13 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.929 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -33.07 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 33.31 110.838 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 t -67.27 -25.41 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.882 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -101.5 -22.65 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -39.37 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -41.93 97.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.861 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.12 -23.02 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 54.44 111.13 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.4 -25.42 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.24 -55.45 31.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 44.22 111.11 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.72 -32.18 19.25 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.69 2.26 . . . . 55.41 112.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.687 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -66.45 -47.99 71.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.938 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.1 p -103.12 63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.4 111.13 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.43 122.63 29.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.875 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.91 18.43 17.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 32.41 112.488 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -130.51 148.83 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.32 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 128.01 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.746 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -100.24 117.61 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 40.22 112.453 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 122' ' ' GLY . 6.9 mm -128.44 120.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 64.52 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.14 115.76 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.871 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.643 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -149.03 136.1 19.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.094 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -102.06 155.08 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 42.34 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.82 -162.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 64.53 110.868 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -25.97 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.53 111.096 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -21.39 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.01 110.855 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.643 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -98.15 17.47 58.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.48 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 130' ' ' GLY . 17.8 mt -141.4 25.58 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 73.14 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -77.72 115.72 17.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.905 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.67 -49.22 78.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -33.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.8 -40.32 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.888 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.453 HG23 HG13 ' A' ' 89' ' ' ILE . 49.0 mm -68.24 -47.08 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.11 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 m -62.58 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -69.56 -36.73 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -48.38 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.843 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.79 -37.83 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.118 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -65.86 -31.56 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 m -80.75 -40.51 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.872 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.1 t30 61.02 40.65 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 65.41 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.879 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 109' ' ' SER . 9.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.347 . . . . 71.33 111.157 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.88 137.93 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 51.33 110.854 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.425 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.3 p -73.32 122.18 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 73.3 111.085 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.26 158.21 27.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.48 -32.38 49.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 62.21 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.904 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.58 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.21 110.868 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 HD11 ' A' ' 116' ' ' LEU . 22.0 t -58.7 -51.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.117 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -63.48 -41.03 98.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.126 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.06 -45.15 87.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.087 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.07 -40.41 78.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -57.81 -45.97 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 -40.06 70.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.829 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD13 HG23 ' A' ' 35' ' ' VAL . 48.5 tp -55.4 -44.19 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.744 ' HB3' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.58 -24.66 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 53.23 110.885 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.41 20.46 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.37 46.68 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -66.79 -59.11 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.843 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -78.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 51.14 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 178.72 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 70.45 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.578 ' OH ' ' HB1' ' A' ' 72' ' ' ALA . 2.1 t80 -138.67 138.47 37.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.03 110.89 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 HD13 ' A' ' 27' ' ' LEU . 64.1 t -130.65 115.29 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 35.23 111.138 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.9 HD13 HD11 ' A' ' 64' ' ' ILE . 86.1 mt -110.98 137.07 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 156.33 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.04 110.881 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -135.5 161.5 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.783 HD12 ' HG2' ' A' ' 69' ' ' PRO . 56.9 mt -85.84 127.68 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.151 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 46' ' ' ALA . 21.6 t -111.05 135.3 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.08 23.89 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.828 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HB2' HD11 ' A' ' 105' ' ' LEU . 16.9 pt20 39.23 41.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 43.11 110.919 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -152.58 -40.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 52.13 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.25 126.92 46.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 52.13 110.859 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.23 131.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 71.43 111.152 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -131.39 160.05 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 63.03 111.112 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.71 137.04 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 74.22 111.086 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.1 -48.83 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -161.28 109.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.3 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -98.57 133.98 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.12 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.01 -178.15 31.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 62.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -179.34 70.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 74.11 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 51.77 73.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 63.51 110.867 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.63 -27.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 63.35 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.29 112.9 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 71.14 111.088 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.66 161.44 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.863 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -69.46 -36.96 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -46.77 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.85 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.01 83.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.03 -45.77 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -70.14 -40.66 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -40.56 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.46 -54.32 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.066 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.9 HD11 HD13 ' A' ' 36' ' ' ILE . 61.9 mt -66.91 146.1 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.119 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.1 110.45 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.89 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 101.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 179.52 -74.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 70.23 110.865 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.81 151.94 61.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 63.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.783 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.2 Cg_endo -69.78 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 44.44 112.33 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.1 p -107.56 156.3 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.903 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 13.5 m-85 -121.66 132.67 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.942 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB1' ' OH ' ' A' ' 34' ' ' TYR . . . -119.24 118.02 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 75.33 111.072 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.14 130.59 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -117.29 126.71 53.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.28 116.71 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -128.67 175.33 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.887 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 65.12 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.326 . . . . 74.14 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 134.69 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.84 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -129.04 126.46 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.907 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -107.48 135.65 48.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 88' ' ' LEU . 4.0 mm -114.87 148.26 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.102 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.7 OUTLIER -130.21 119.29 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.54 110.93 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.48 125.04 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.34 111.108 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.1 138.35 38.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 62.22 110.837 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.486 ' HZ2' HD21 ' A' ' 131' ' ' LEU . 3.5 m0 -106.06 115.62 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -161.05 87.35 1.69 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.663 0.744 . . . . 61.32 110.911 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 132.77 24.13 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.265 . . . . 73.31 112.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -23.27 51.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.879 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 m -101.16 13.57 34.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.887 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -134.96 159.57 71.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 41.14 111.08 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 75.15 112.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -69.05 -33.03 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.918 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 99' ' ' ALA . 20.4 p -73.84 -47.23 39.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 63.43 111.141 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -34.93 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 70.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -71.39 -47.99 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.891 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 42' ' ' GLN . 20.6 mt -62.76 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.54 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.22 -41.66 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 64.25 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 t -74.12 -41.51 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 54.43 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.62 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 64.33 110.819 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.692 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.9 t -96.9 -24.79 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.876 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -61.64 -40.48 95.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 65.53 110.905 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -42.83 97.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.805 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.96 -22.84 45.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 71' ' ' TYR . 1.4 mt -83.0 -24.26 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.01 110.89 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.91 -55.44 35.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 62.15 111.162 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.82 -33.17 16.91 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.677 2.252 . . . . 62.24 112.346 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -48.02 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.91 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 90' ' ' LEU . 43.8 p -111.08 59.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 63.41 111.073 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -85.32 122.45 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.29 -42.66 1.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 65.21 112.463 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.1 151.12 44.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 72.35 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.71 105.41 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.35 110.913 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.07 113.8 4.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 71.22 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 139' ' ' LYS . 2.9 mp -131.5 136.37 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 74.1 111.093 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -107.57 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.86 133.87 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.084 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -97.97 157.22 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.88 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.84 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.19 12.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 62.52 111.07 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.04 110.892 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.78 18.78 39.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.725 . . . . 75.21 112.526 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 130' ' ' GLY . 36.3 mt -140.06 25.96 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.326 . . . . 64.12 110.936 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.85 108.38 14.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 61.52 110.875 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -51.81 -45.76 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.45 -31.86 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 70.1 110.889 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.65 -42.46 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.43 110.877 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.9 -47.26 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -40.85 95.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.02 110.84 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.56 -36.56 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 70.02 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.612 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -63.87 -48.69 75.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 54.12 110.912 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 87' ' ' LYS . 7.4 p -67.8 -37.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 53.15 111.155 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -35.7 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.14 110.877 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.6 t -80.63 -29.67 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.845 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.31 26.61 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.842 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.853 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 109' ' ' SER . 2.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 72.34 111.108 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.3 143.28 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 45' ' ' ILE . 25.7 m -79.82 124.64 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 73.23 111.133 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.72 154.71 40.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 51.24 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.52 -36.98 62.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 74.1 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.34 -36.98 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 62.01 110.933 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 35.3 t -68.44 -45.27 73.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.821 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.821 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.48 -47.61 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 72.45 111.128 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -65.11 -42.38 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.106 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.15 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 32.34 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' CG2' ' A' ' 117' ' ' THR . 7.5 mt -68.76 -40.3 79.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.44 110.894 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.98 -45.98 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.83 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.68 -38.9 70.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 64.52 110.838 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.976 HD22 HG22 ' A' ' 35' ' ' VAL . 13.6 tp -56.48 -44.34 80.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 73.54 110.944 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.657 ' CA ' HD12 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -63.52 -24.3 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.86 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 20.16 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 62.04 46.64 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -73.2 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.905 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -75.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.844 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.675 ' C ' HD11 ' A' ' 27' ' ' LEU . 12.5 ttm180 -179.01 -70.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.85 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . 17.8 p90 -140.12 150.64 44.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.921 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.976 HG22 HD22 ' A' ' 27' ' ' LEU . 27.8 m -133.1 123.45 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 72.43 111.144 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -110.07 132.25 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.01 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.7 mtm -135.34 155.75 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.88 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -130.8 165.37 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 62.23 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.71 HD13 HD22 ' A' ' 105' ' ' LEU . 21.5 mt -85.9 125.19 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.13 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' ALA . 92.3 t -109.5 128.61 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.12 15.64 8.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.817 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.04 31.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 62.01 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -144.74 -41.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.13 126.99 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.43 110.819 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 61.7 mt -81.7 131.41 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 52.45 111.148 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -127.61 156.64 41.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.064 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.29 138.38 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -46.42 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.23 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -161.42 111.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 74.02 111.09 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.766 HG13 HG12 ' A' ' 35' ' ' VAL . 19.1 tt -97.17 142.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.153 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.17 -179.22 28.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 73.32 112.552 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.88 49.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 74.14 110.867 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 59.61 20.26 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.45 5.58 3.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 71.21 112.501 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.92 130.26 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.4 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.71 175.28 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -69.41 -39.24 78.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -46.95 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 72.23 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.45 -39.79 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.634 ' HE2' HD22 ' A' ' 131' ' ' LEU . 8.7 t80 -59.65 -50.92 72.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.81 -41.98 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.12 84.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.862 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.04 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.081 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.551 HD12 ' CZ3' ' A' ' 93' ' ' TRP . 1.0 OUTLIER -71.02 125.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 74.3 111.102 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -118.47 129.61 55.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 52.05 110.85 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.89 91.96 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 179.93 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.35 110.83 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.63 154.54 71.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 74.34 111.15 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.613 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 130.4 19.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.729 2.286 . . . . 73.24 112.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -140.77 142.44 34.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 51.45 110.913 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -117.75 130.15 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.932 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.74 122.8 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -106.15 136.9 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.115 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 88' ' ' LEU . 14.2 t80 -131.11 130.41 43.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -94.02 133.36 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -139.76 132.46 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.888 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.902 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.342 . . . . 62.3 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -134.66 135.17 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.533 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -132.7 141.79 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.895 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -108.56 137.68 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 60.45 110.936 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.0 149.01 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 tp -117.18 119.55 35.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.52 110.907 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.25 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.162 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.07 127.63 47.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.828 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -112.59 114.52 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.03 110.893 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 p30 177.38 156.31 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 71.41 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.36 19.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 75.3 112.364 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.97 -41.06 91.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.84 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 14.27 24.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 23.24 110.882 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.21 -95.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 73.15 112.532 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -112.23 159.47 33.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 71.13 111.124 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.78 -39.97 5.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 70.32 112.333 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.04 -43.2 83.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.505 HG23 ' CD ' ' A' ' 69' ' ' PRO . 91.3 m -67.3 -37.83 84.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.53 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -67.77 -46.32 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -41.84 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 61.44 110.934 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 39' ' ' ILE . 13.1 mt -55.07 -29.86 58.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.882 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -59.04 -34.13 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 62.4 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -97.72 -29.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 61.24 110.843 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -26.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 65.53 110.836 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.665 ' HB2' HG21 ' A' ' 14' ' ' VAL . 8.4 t -99.07 -33.31 10.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.31 110.81 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -56.31 -39.38 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.01 -40.43 95.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 52.42 110.877 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.28 -23.96 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -25.83 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.36 -55.35 29.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 71.34 111.105 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.72 -33.05 17.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 52.41 112.353 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.5 -41.92 88.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.885 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 24' ' ' LEU . 71.5 p -130.8 70.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.31 111.105 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.26 122.43 28.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 132.47 -44.88 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 63.1 112.501 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.24 158.26 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.33 110.833 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.29 144.68 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . 0.737 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -112.49 126.87 7.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 75.44 112.524 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 122' ' ' GLY . 11.2 mm -128.3 120.27 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.25 111.12 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.56 116.67 33.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 63.33 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.646 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.82 132.8 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 40.11 111.077 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.93 155.56 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.84 -163.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.883 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.09 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.24 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -22.61 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -102.92 19.86 45.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.479 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 130' ' ' GLY . 25.0 mt -133.09 24.5 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 72.23 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.28 105.71 16.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.35 110.885 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -59.53 -42.96 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.896 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.66 -34.87 69.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 74.33 110.849 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.56 -40.41 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.03 -47.1 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.161 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m -63.39 -38.83 92.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 60.42 110.803 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -37.61 78.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.855 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -66.07 -48.32 71.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.533 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.8 p -67.78 -37.7 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 64.42 111.181 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -69.9 -34.92 74.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.859 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.4 m -69.43 -37.76 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.851 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 53.69 34.05 18.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.932 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 45' ' ' ILE . 46.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.847 0.356 . . . . 72.14 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.78 136.54 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.839 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -83.09 132.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 74.55 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.33 149.72 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -35.67 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -58.64 -44.76 90.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.77 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 116' ' ' LEU . 40.7 t -58.59 -50.49 78.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 75.12 111.117 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -63.31 -41.19 98.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.121 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.18 83.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 51.13 111.091 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 ' CG2' ' A' ' 117' ' ' THR . 26.4 mt -67.3 -39.63 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.55 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.88 86.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.71 -37.01 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.874 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -58.73 -43.16 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 52.33 110.929 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -23.81 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 20.11 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 52.2 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.45 46.7 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.892 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.39 -66.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.88 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.52 -75.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.865 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.67 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.657 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 10.0 p90 -144.83 142.28 29.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.955 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 27' ' ' LEU . 7.5 p -129.03 124.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.115 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -109.21 135.74 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.174 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.14 154.61 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.892 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -128.55 168.58 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.797 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' CG ' ' A' ' 69' ' ' PRO . 69.5 mt -96.37 113.33 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.02 144.93 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 62.24 111.141 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 58.48 20.73 7.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 74.3 110.901 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.71 ' HB2' HD21 ' A' ' 105' ' ' LEU . 4.2 pt20 39.02 41.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.912 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -157.2 -38.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -116.06 150.86 36.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 60.53 110.841 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 14' ' ' VAL . 56.9 mt -103.18 130.85 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 72.5 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.1 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.42 111.088 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.19 138.36 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -106.09 -42.27 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -161.2 109.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.8 146.1 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.62 -174.18 24.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.474 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.12 54.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 75.31 110.862 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 61.89 18.16 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.889 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -34.34 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 73.01 112.507 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.41 130.73 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.45 111.141 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.69 172.09 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 62.34 110.848 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.57 -41.1 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.854 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -57.59 -46.85 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.94 -36.0 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 44.43 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -62.82 -50.91 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 70.12 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.09 -41.83 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 111.092 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -60.46 -40.44 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 -53.78 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.12 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.11 124.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.23 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.85 122.74 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.85 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 91.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.945 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.72 -74.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.9 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.02 154.43 84.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 74.43 111.143 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.583 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.7 126.62 13.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.221 . . . . 54.22 112.358 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.6 m -145.54 151.74 38.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 73.22 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' HB3' HD11 ' A' ' 90' ' ' LEU . 52.2 m-85 -129.1 130.06 46.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.903 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.92 125.83 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.095 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.92 119.89 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.139 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -116.62 127.46 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.02 127.19 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.868 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -135.79 125.31 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.903 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 73.1 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -111.29 134.48 52.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 133.64 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -108.46 134.81 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.959 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.85 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 74.25 111.113 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 71' ' ' TYR . 17.7 tp -120.88 119.81 33.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.916 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.45 122.53 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.102 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -114.07 138.83 49.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.833 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -91.36 115.38 27.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 72.51 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -148.08 78.62 9.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 74.24 110.865 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.59 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 71.13 112.303 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -58.21 -22.66 52.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.832 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.93 13.55 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.23 110.826 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -67.93 -106.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 41.22 112.495 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -138.96 160.41 62.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 65.43 111.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.77 -45.67 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.635 2.223 . . . . 64.34 112.334 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HD13 ' A' ' 105' ' ' LEU . 3.2 mmp_? -68.03 -44.51 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.824 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 77.8 p -63.34 -43.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 63.41 111.152 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -57.71 -46.38 84.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.91 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.31 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 42' ' ' GLN . 4.4 mp -55.45 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 65.04 110.897 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.25 -47.36 85.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -37.12 82.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.877 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -67.26 -34.74 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 61.44 110.864 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.514 ' OG ' HG11 ' A' ' 14' ' ' VAL . 42.4 t -84.02 -32.14 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.855 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -60.75 -39.39 88.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.882 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.68 -42.17 98.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.895 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.21 43.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 73.01 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.492 HD12 ' OG ' ' A' ' 109' ' ' SER . 0.3 OUTLIER -83.82 -22.9 31.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.949 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.76 -55.33 39.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 64.15 111.087 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.74 -34.52 14.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 74.41 112.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -44.59 82.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.69 ' CG2' HD13 ' A' ' 24' ' ' LEU . 33.4 p -120.17 65.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.42 111.138 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.22 122.44 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 71.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.86 -46.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 43.11 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.1 149.57 46.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 65.51 110.839 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.22 107.26 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.67 121.88 7.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 31.51 112.515 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 139' ' ' LYS . 3.8 mp -131.37 138.58 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 72.43 111.122 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.73 116.9 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.35 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 132.03 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -97.92 163.18 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.6 -26.25 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.086 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.68 -23.71 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.882 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.65 38.04 3.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.35 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 pp -175.73 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.31 110.892 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.0 117.54 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -52.11 -43.44 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.876 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.02 -34.88 78.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 52.43 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.68 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.43 110.892 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.14 -47.2 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.14 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 64.7 m -62.89 -40.15 96.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 71.05 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -65.99 -36.79 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' A' ' 123' ' ' ILE . 0.9 OUTLIER -68.01 -48.4 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.892 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -37.89 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 72.34 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -71.24 -35.41 71.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 m -75.72 -32.23 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 40.43 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 54.61 27.23 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 65.31 110.892 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.853 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 108' ' ' SER . 5.2 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.854 0.359 . . . . 44.04 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -143.36 145.21 32.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 63.21 110.878 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 45' ' ' ILE . 26.8 m -73.31 127.87 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.158 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.82 157.59 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 51.44 111.044 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -36.0 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.93 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.97 -33.96 76.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -71.03 -45.24 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 70.51 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.054 HG13 HD11 ' A' ' 116' ' ' LEU . 21.5 t -62.4 -45.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 55.43 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.5 m -65.85 -46.66 77.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 72.15 111.133 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.99 82.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 23.34 111.055 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 117' ' ' THR . 13.7 mt -69.18 -42.79 75.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 75.55 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.21 -45.83 86.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 44.13 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -69.21 -42.4 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.43 110.875 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -58.39 -34.82 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.952 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HA ' HD11 ' A' ' 88' ' ' LEU . 6.9 ttt85 -63.37 -25.31 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.863 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 16.64 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 51.43 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt 61.98 46.67 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -20.97 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 53.42 110.895 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.01 -80.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.866 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 177.39 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.639 ' HA ' HD11 ' A' ' 27' ' ' LEU . 13.2 p90 -145.24 155.29 43.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.932 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.89 HG12 HD13 ' A' ' 27' ' ' LEU . 6.1 p -142.5 120.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 53.21 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.627 HD11 ' CE2' ' A' ' 60' ' ' PHE . 17.8 mt -102.18 132.33 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.141 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.63 154.23 48.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.88 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -133.94 162.62 31.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 69' ' ' PRO . 22.6 mt -85.88 122.21 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 65.31 111.089 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -105.08 129.26 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.51 111.121 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.92 15.72 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.859 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.573 ' HG2' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER 48.75 32.13 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.25 110.895 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -41.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.928 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.74 126.91 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 89.6 mt -80.81 131.43 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.136 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.76 158.87 38.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.41 111.149 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.82 138.39 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.066 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.89 -49.57 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.5 m -161.46 104.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.05 111.167 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 tt -96.91 147.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.11 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.28 -175.26 25.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 30.12 112.472 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.53 66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 71.43 110.881 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 51.54 80.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.892 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.84 -18.88 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.481 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB3' ' HE2' ' A' ' 34' ' ' TYR . . . -68.12 120.67 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 62.32 111.089 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.63 174.89 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -68.54 -37.05 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.03 -46.85 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.88 -41.46 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.627 ' CE2' HD11 ' A' ' 36' ' ' ILE . 3.1 t80 -60.41 -51.62 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.47 -45.42 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 71.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.49 -40.14 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 51.43 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.6 pt -66.28 142.71 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.91 125.89 40.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 64.55 110.866 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.35 76.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.429 ' OD1' HG13 ' A' ' 68' ' ' VAL . 12.2 t-20 -179.36 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.899 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG13 ' OD1' ' A' ' 67' ' ' ASN . 16.3 m -79.62 154.64 76.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 43.43 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.667 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.78 119.51 6.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 51.33 112.32 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 t -132.91 140.67 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 61.54 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.1 130.08 46.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.967 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.27 129.35 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.22 111.108 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.72 114.05 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 64.55 110.844 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -84.6 130.82 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 64.33 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.45 170.17 16.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.88 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.864 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 75.05 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.86 134.58 54.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.857 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.59 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.888 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 27' ' ' LEU . 5.8 mp -105.3 136.34 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.893 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.588 HD13 ' CG2' ' A' ' 136' ' ' ILE . 13.6 mt -115.0 148.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.23 121.18 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.921 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.3 129.86 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.099 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.21 128.98 47.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.59 ' HH2' HD23 ' A' ' 131' ' ' LEU . 25.5 m95 -110.56 114.76 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.943 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . 0.681 ' OD1' HG21 ' A' ' 102' ' ' THR . 1.5 t30 177.55 140.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 75.4 110.938 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.62 23.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.25 . . . . 65.12 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.34 -21.85 60.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.877 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.2 13.71 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.904 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.89 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 43.11 112.452 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -136.09 159.92 69.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 70.34 111.097 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.74 -38.38 7.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 72.2 112.366 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -66.84 -34.24 77.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.681 HG21 ' OD1' ' A' ' 94' ' ' ASN . 98.3 m -68.18 -45.97 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.178 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -38.84 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -48.12 52.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.855 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' HG2' ' A' ' 42' ' ' GLN . 32.8 mt -61.89 -34.42 76.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.16 -48.74 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.923 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -63.27 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB3' HG11 ' A' ' 14' ' ' VAL . 37.3 t -67.2 -42.49 84.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 50.51 110.845 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.0 p -71.5 -45.1 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 61.04 110.841 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.16 -39.47 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -40.53 89.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.857 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.17 -23.11 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.037 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -83.26 -26.08 31.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.92 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.62 -55.32 30.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 74.01 111.162 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.76 -31.75 19.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 72.14 112.335 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.054 HD11 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -48.04 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.926 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 24' ' ' LEU . 36.5 p -103.27 56.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 53.12 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.57 122.57 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 72.3 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.26 42.72 6.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.86 154.85 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 73.44 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -104.32 98.44 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.899 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.26 111.97 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 44.2 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.68 138.36 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 52.15 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.76 116.9 32.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.12 110.881 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.588 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.88 126.87 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.128 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -97.85 159.88 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.926 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.04 -164.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.858 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.76 -26.11 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.126 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -21.16 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 70.43 110.903 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -88.38 -13.22 63.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 23.21 112.467 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.59 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.5 mt -102.95 24.33 10.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 74.03 110.919 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 95.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.815 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -60.24 -38.25 82.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.61 -41.23 92.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 62.44 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.95 -41.14 87.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 71.41 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.588 ' CG2' HD13 ' A' ' 89' ' ' ILE . 31.2 mt -64.75 -47.36 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.097 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 p -63.29 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.901 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 73.15 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -67.75 -48.48 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 89' ' ' ILE . 28.7 m -67.89 -37.85 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.106 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.12 -33.32 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -86.95 -31.21 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.863 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 63.26 30.41 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 61.35 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 137.15 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.25 127.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 63.14 111.139 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 151.21 47.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.125 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -53.44 -36.97 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.854 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.54 -43.08 84.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 63.3 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.15 -41.64 90.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.846 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 HD21 ' A' ' 116' ' ' LEU . 33.6 t -59.31 -52.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.117 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.145 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.3 87.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 55.24 111.078 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD13 ' CG2' ' A' ' 117' ' ' THR . 61.5 mt -68.62 -40.45 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.88 -46.19 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.84 -37.46 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 54.44 110.881 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD22 HG12 ' A' ' 35' ' ' VAL . 1.5 tp -59.24 -38.0 78.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.23 -24.23 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 64.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -94.0 20.02 8.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 56.44 46.7 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -30.72 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 62.53 110.872 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.98 -76.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 54.4 110.852 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 -68.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.871 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.701 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 5.4 p90 -145.34 154.3 42.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 53.4 110.904 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.739 HG12 HD22 ' A' ' 27' ' ' LEU . 7.3 p -139.65 126.46 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.155 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.73 136.07 45.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 55.24 111.117 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.43 ' CE ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.86 156.15 49.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.875 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -134.06 166.38 22.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 71.41 110.867 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 69' ' ' PRO . 29.6 mt -85.79 125.73 40.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 46' ' ' ALA . 95.6 t -109.44 130.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 75.41 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.66 15.88 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.832 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 48.6 32.1 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -144.86 -41.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 55.43 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.97 126.81 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.31 110.853 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.74 131.54 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -128.82 160.98 30.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 61.42 111.125 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.67 138.24 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.42 111.121 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -106.0 -49.83 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.2 m -161.74 107.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 tt -96.59 147.7 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 72.45 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.7 -172.76 25.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 44.25 112.49 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -179.92 58.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 70.54 110.915 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 55.72 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.88 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.04 -28.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 63.3 112.499 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.701 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.93 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.309 . . . . 64.52 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 167.03 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.93 -32.63 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.13 110.941 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -47.42 84.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.85 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -69.95 -31.0 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.941 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 64' ' ' ILE . 5.7 t80 -65.44 -51.51 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.869 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -36.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.15 -39.85 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.858 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.65 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.22 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.2 pp -71.53 135.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.54 111.094 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.35 118.23 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.887 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 88.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 43.41 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -179.46 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.89 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG23 ' SG ' ' A' ' 70' ' ' CYS . 13.7 m -66.98 154.58 92.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 75.52 111.102 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.76 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 65.34 112.359 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 68' ' ' VAL . 31.6 m -139.66 153.97 47.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.913 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.635 ' HB3' HD11 ' A' ' 90' ' ' LEU . 37.3 m-85 -129.15 130.07 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 61.33 110.936 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.5 128.27 50.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 64.15 111.093 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.67 129.2 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 73.33 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.52 128.71 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.64 133.52 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 72.32 110.912 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -139.12 161.96 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.886 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.837 0.351 . . . . 72.12 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -119.39 134.52 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 128.67 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 138.2 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.93 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.63 149.05 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.144 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 71' ' ' TYR . 22.3 tp -122.97 118.9 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 61.13 110.968 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 136' ' ' ILE . 4.0 mp -117.58 119.39 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.3 111.115 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 t -101.31 138.71 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -93.42 115.26 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 70.12 110.841 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.13 85.73 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 71.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.86 24.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 72.25 112.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -58.01 -22.9 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.897 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 13.77 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 61.22 110.877 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.57 -111.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 61.42 112.482 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -124.5 159.37 58.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 72.04 111.081 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.79 -46.29 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 62.42 112.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -59.95 -42.53 94.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 64.11 110.842 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 99' ' ' ALA . 18.9 p -66.47 -38.91 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.122 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -62.88 -48.26 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -42.44 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 64.4 110.878 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.07 -29.91 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.951 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -58.96 -48.81 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.946 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 t -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.844 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 m -55.58 -26.1 41.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 44.44 110.834 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -95.47 -26.32 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.857 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -66.05 -39.37 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.879 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.05 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 55.14 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.74 -23.25 31.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 62.31 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.48 -55.38 38.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 74.44 111.114 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 -33.45 16.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 42.55 112.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.39 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.91 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.611 ' CG2' HD13 ' A' ' 24' ' ' LEU . 76.8 p -119.86 64.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -85.36 122.49 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.49 -50.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 70.12 112.5 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.16 144.52 50.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 63.13 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.42 101.24 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.966 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.02 104.07 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 41.31 112.463 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.754 HD13 ' HD2' ' A' ' 139' ' ' LYS . 3.8 mp -131.67 128.78 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 73.15 111.123 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -82.55 133.72 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 44.24 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.91 127.98 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 51.53 111.094 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -108.14 158.4 17.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.929 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.59 -164.5 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.61 -26.58 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.116 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -107.05 18.84 36.03 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 30.24 112.5 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 130' ' ' GLY . 54.6 mt -136.3 23.88 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 65.55 110.909 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.12 106.79 19.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -51.82 -38.07 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.832 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 -34.04 68.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.21 -42.29 80.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.923 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 91' ' ' ILE . 47.2 mm -65.29 -47.2 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.123 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -64.19 -37.57 87.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 63.33 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.4 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 71.11 110.871 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.754 ' HD2' HD13 ' A' ' 123' ' ' ILE . 1.7 mmtm -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.31 110.88 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.9 p -63.55 -40.4 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -22.27 53.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 65.14 110.916 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -32.03 73.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.854 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.7 m120 54.81 33.16 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.853 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.828 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 70.14 111.106 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.88 141.5 40.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.903 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.7 p -73.22 122.79 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 62.21 111.176 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.31 155.88 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.14 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -53.46 -36.94 62.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.84 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.87 -43.08 90.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -65.64 -43.7 88.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 70.34 110.899 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.885 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.66 -48.11 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 64.54 111.076 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -41.96 95.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.141 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.21 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.085 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.17 -39.9 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.927 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.02 -45.89 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.865 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.73 -38.69 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.62 -44.45 81.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.1 110.916 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -63.69 -24.33 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.854 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.25 20.13 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.869 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tttt 62.17 46.59 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.927 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -71.23 -68.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 62.14 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.98 -76.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 62.05 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.666 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 7.9 p90 -145.21 153.34 41.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.903 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 27' ' ' LEU . 7.3 p -141.15 123.82 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 63.42 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -107.44 136.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.14 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.76 155.88 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -129.37 163.59 25.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.847 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.2 mt -85.77 126.02 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.183 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 46' ' ' ALA . 60.2 t -110.63 127.72 67.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.114 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.0 15.82 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 52.22 110.801 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 48.96 32.18 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.928 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -145.09 -41.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.25 110.876 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.82 127.02 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 61.44 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 70.1 mt -82.32 131.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.23 111.101 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.16 150.63 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.42 111.1 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.26 138.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -107.18 -46.38 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 70.23 110.876 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -162.06 106.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.184 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.55 147.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 64.45 111.167 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.81 -171.77 25.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 45.43 112.534 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -179.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 60.74 19.72 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.65 13.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 61.22 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -94.33 111.11 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 60.35 111.088 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.93 162.41 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -69.53 -36.91 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -46.86 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.85 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.884 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.1 t80 -65.63 -45.71 82.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.878 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 64' ' ' ILE . 50.6 mm -71.31 -43.97 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 73.34 111.15 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.52 -40.51 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.915 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.57 -53.29 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.064 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 60' ' ' PHE . 11.3 tt -68.64 147.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 62.15 111.154 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -169.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.909 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.54 68.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.905 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' HB ' ' HD2' ' A' ' 69' ' ' PRO . 16.7 m -69.19 152.9 96.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 65.25 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.582 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 74.01 112.351 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.49 147.54 50.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 61.35 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -129.01 129.9 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -116.47 123.89 48.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 40.02 111.143 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.611 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.43 113.27 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -111.53 127.54 55.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -101.63 122.32 43.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 64.3 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -133.37 135.15 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 45.22 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 63.42 110.891 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 60.54 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.02 134.62 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.03 110.841 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.85 134.65 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -108.63 130.02 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 60.24 110.876 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.94 150.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.143 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.23 121.02 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 129.98 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.12 111.132 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.17 125.69 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.854 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -111.77 114.17 26.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.19 160.04 0.51 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.554 0.692 . . . . 73.34 110.911 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 63.01 112.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.93 -41.17 91.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.867 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.3 13.9 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.803 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.85 -93.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 64.13 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.645 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -115.55 156.64 45.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 71.53 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.4 Cg_endo -69.79 -36.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 71.45 112.338 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -45.47 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.0 t -68.09 -37.2 80.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.124 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -65.33 -48.2 73.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -39.89 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 51.22 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 39' ' ' ILE . 13.2 mt -55.03 -29.69 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 73.03 110.932 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -58.8 -48.86 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.957 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -78.58 -32.2 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 62.1 110.891 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -67.28 -22.07 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.81 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.618 ' O ' HD12 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -104.21 -25.66 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 45.03 110.847 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -40.8 97.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.84 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 60.24 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -22.9 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.32 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' SER . 0.4 OUTLIER -82.76 -26.51 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 64.42 110.951 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.67 -55.51 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 71.33 111.154 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.71 -31.23 21.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 64.11 112.358 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.32 -24.28 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.938 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.3 p -130.66 61.47 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -52.76 122.47 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.5 110.891 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 79.92 46.92 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 62.42 112.492 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.53 158.16 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.53 110.888 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.94 104.01 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.2 113.31 4.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.11 112.511 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.45 136.31 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 73.53 111.165 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -109.83 123.99 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.595 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.68 130.75 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.059 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -97.78 156.47 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 63.03 110.861 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.91 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.843 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 131' ' ' LEU . . . -52.58 -26.37 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.105 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 t -59.72 -23.25 63.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.859 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.595 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -104.98 29.76 11.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 73.02 112.497 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 128' ' ' ALA . 11.1 mt -142.07 20.62 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 71.03 110.933 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.44 96.2 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.884 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -55.7 -42.39 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 60.14 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -32.0 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -68.31 -42.08 79.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.59 -47.13 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 65.31 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 m -62.41 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.826 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -37.14 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.845 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -48.4 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.94 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.9 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.11 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -28.04 64.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.877 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t -83.08 -27.57 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.885 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.87 53.35 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 75.34 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 136.79 54.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.803 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.55 122.46 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 143.79 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.116 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.3 -31.46 44.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.887 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.896 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.872 HG13 HD11 ' A' ' 116' ' ' LEU . 52.8 t -60.64 -48.34 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 55.31 111.139 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -64.55 -44.01 92.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.55 111.149 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.57 85.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 24.42 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.16 -42.02 76.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 63.35 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -46.02 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.86 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.58 -37.0 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.831 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 33' ' ' ARG . 57.7 tp -60.79 -35.17 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD21 ' A' ' 88' ' ' LEU . 1.4 ptm180 -62.77 -24.74 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 18.23 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.16 46.61 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.895 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.41 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.45 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -78.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 51.42 110.852 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 177.12 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 75.41 110.839 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -145.21 155.35 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.645 HG22 HG13 ' A' ' 50' ' ' ILE . 61.2 t -137.32 122.27 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.14 111.131 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -107.67 137.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.646 ' CE ' HD21 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -130.07 153.7 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 63.54 110.876 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -128.15 150.85 49.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 74.51 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.581 HD12 ' CG ' ' A' ' 69' ' ' PRO . 30.1 mt -84.97 117.72 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.106 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.48 134.04 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 60.4 111.149 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.7 24.0 6.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.843 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.688 ' CB ' HD11 ' A' ' 105' ' ' LEU . 16.4 pt20 39.46 40.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.917 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -151.1 -40.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.61 127.05 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.431 HD11 ' OG ' ' A' ' 109' ' ' SER . 65.8 mt -83.11 131.06 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.135 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.14 44.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.12 111.065 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.1 138.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 54.43 111.121 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 -56.44 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.926 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -158.89 106.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.115 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 35' ' ' VAL . 16.8 tt -96.93 145.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.082 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.61 -179.75 22.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 73.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -178.73 65.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 72.51 110.91 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 55.92 24.64 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.892 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.31 -36.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 61.23 112.458 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.5 141.33 20.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 72.24 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.36 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.926 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.48 -41.96 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.22 110.881 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -46.78 86.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -71.09 -31.28 67.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 64' ' ' ILE . 5.2 t80 -65.88 -47.97 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.21 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.1 mm -71.3 -43.25 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.04 111.142 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.59 -40.31 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.38 -53.92 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 60' ' ' PHE . 2.4 tt -68.28 147.37 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 64.03 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.08 -170.09 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.899 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -143.4 75.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 65.32 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.6 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 61.35 110.913 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.15 154.47 37.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 64.41 111.135 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.581 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 74.12 112.319 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.7 m -137.48 142.34 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.21 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 90' ' ' LEU . 84.1 m-85 -115.78 129.6 56.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.964 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.1 123.04 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 41.52 111.077 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.63 123.6 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 31.33 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.25 127.1 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -104.23 118.81 37.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.862 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -118.51 118.68 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.879 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.886 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 72.43 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -145.19 134.64 23.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 125.73 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.884 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' A' ' 28' ' ' ARG . 5.8 mp -101.05 128.83 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.917 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.532 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.34 148.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 72.21 111.094 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -121.08 118.96 31.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.904 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.4 mp -117.78 129.4 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.161 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.33 117.57 35.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.87 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -105.9 114.51 28.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -179.84 155.07 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 44.22 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 130.79 19.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 72.44 112.329 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.09 -41.23 90.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.12 110.879 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -109.0 14.07 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.842 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.35 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 74.42 112.488 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.2 158.87 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 64.31 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.2 Cg_endo -69.83 -36.74 10.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 74.23 112.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -69.23 -32.45 71.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' HD3' ' A' ' 69' ' ' PRO . 98.5 m -73.75 -47.23 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.32 111.109 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -48.07 49.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.35 110.889 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 42' ' ' GLN . 23.2 mt -56.3 -30.46 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.11 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.95 -33.85 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.955 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -32.97 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 73.04 110.851 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -42.64 83.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 61.24 110.873 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' HD11 ' A' ' 45' ' ' ILE . 9.2 t -83.85 -17.32 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.87 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.615 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -62.51 -38.99 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.859 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.87 -41.62 98.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.877 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.95 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.646 HD21 ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -83.77 -15.26 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.937 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -61.21 -55.53 42.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 71.14 111.134 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.5 Cg_endo -69.8 -34.08 15.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 65.14 112.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -70.58 -48.31 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.917 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 p -105.9 46.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 60.43 111.168 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -81.66 132.47 35.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 12.54 33.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 72.1 112.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.37 152.85 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 75.55 110.841 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -81.84 111.79 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.13 120.23 6.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 70.12 112.49 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.45 138.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 64.32 111.083 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -109.89 120.23 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 64.42 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.58 138.59 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -97.46 156.96 16.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 53.42 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.67 -161.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 64.24 110.854 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.13 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.12 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -60.2 -22.82 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -106.04 43.11 1.74 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 72.24 112.491 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 33.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 75.51 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.12 110.47 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.872 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -47.69 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.901 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.45 -34.46 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 72.21 110.841 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.58 -39.65 80.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 44.41 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 140' ' ' VAL . 48.0 mt -67.19 -47.03 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.161 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.3 m -64.81 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -37.56 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 62.13 110.888 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.61 -48.6 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -68.05 -37.79 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 70.21 111.13 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -63.24 -34.73 78.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 -37.64 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 62.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 60.08 33.0 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.6 mtt-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.886 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.776 0.322 . . . . 73.13 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.92 136.86 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.856 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.5 p -73.39 122.74 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 52.14 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 152.66 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.11 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -58.5 -28.45 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.9 -43.46 91.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 61.42 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 m -66.05 -42.74 89.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 40.14 110.911 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 116' ' ' LEU . 23.5 t -58.68 -52.15 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.23 111.161 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.13 111.143 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.64 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 32.21 111.092 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -69.08 -40.41 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.81 -46.33 84.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.04 -37.74 69.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.921 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 35' ' ' VAL . 3.4 tp -56.64 -43.98 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 64.31 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -24.13 67.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.46 20.15 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.02 46.68 6.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.913 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -72.66 -53.45 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.885 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -77.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 -63.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 73.23 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -142.56 146.16 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.23 110.909 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.816 HG12 HG23 ' A' ' 50' ' ' ILE . 19.7 m -133.65 124.18 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 61.45 111.136 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.971 HG21 HD11 ' A' ' 64' ' ' ILE . 8.4 mt -111.82 131.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mtm -131.78 156.18 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 54.53 110.823 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -138.22 167.48 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.643 HD12 ' CG ' ' A' ' 69' ' ' PRO . 28.8 mt -85.75 129.25 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 46' ' ' ALA . 57.7 t -112.93 128.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.132 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.85 15.86 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.666 ' CG ' HD21 ' A' ' 105' ' ' LEU . 30.3 mt-30 48.97 31.65 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.959 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -143.2 -41.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.65 127.11 45.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.839 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 16' ' ' VAL . 43.6 mt -81.44 131.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 73.51 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.783 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.09 165.56 21.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 51.41 111.104 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.08 138.34 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 43.02 111.118 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -106.97 -50.4 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.6 m -161.26 108.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.816 HG23 HG12 ' A' ' 35' ' ' VAL . 96.6 mt -107.95 142.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.53 111.137 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.27 -169.71 33.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 73.51 112.453 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -179.85 56.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 74.01 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 63.38 25.76 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.51 16.57 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -104.65 130.2 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 75.01 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.87 168.64 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 53.05 110.904 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -32.04 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.853 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -47.01 87.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.849 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.31 -31.15 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -63.4 -50.48 69.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.1 -38.92 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.102 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -40.64 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.897 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.99 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 53.51 111.074 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.971 HD11 HG21 ' A' ' 36' ' ' ILE . 41.1 mm -66.39 143.5 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.38 147.6 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -87.85 91.31 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.19 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.76 154.59 94.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 72.43 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.643 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.4 Cg_endo -69.78 123.37 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 74.0 112.353 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -154.92 145.05 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.865 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.435 ' OH ' HG21 ' A' ' 45' ' ' ILE . 20.0 p90 -128.92 139.01 52.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.891 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.29 120.09 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.055 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -107.0 113.24 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.094 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -116.49 140.57 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.56 124.97 35.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.835 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -124.38 174.74 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.15 110.888 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 65.44 110.892 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 73.21 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -113.79 134.15 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -144.43 121.88 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.73 136.0 39.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.74 HG21 HD12 ' A' ' 136' ' ' ILE . 2.3 mp -116.48 148.77 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.13 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -126.32 120.29 29.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.958 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -107.96 118.91 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.25 111.095 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -101.19 138.56 38.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 53.32 110.848 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.29 115.54 29.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.875 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -157.53 80.38 3.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 74.11 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.64 23.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.738 2.292 . . . . 64.12 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.03 -23.12 53.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.02 13.37 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.853 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 -107.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 74.21 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.648 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -134.25 159.09 73.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 73.35 111.111 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.85 -47.81 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 54.33 112.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 105' ' ' LEU . 15.8 mtt180 -67.86 -44.17 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 63.13 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 42.9 p -62.54 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.119 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -58.46 -48.41 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.921 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -30.43 65.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 70.23 110.838 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 42' ' ' GLN . 1.4 mp -55.84 -48.78 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 61.31 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -33.89 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.948 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.4 p -79.2 -28.36 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 65.43 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.59 65.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.895 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 p -111.69 17.25 20.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.857 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.9 ptt180 -66.33 -44.32 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 53.42 110.835 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -66.44 -33.12 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.899 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.64 -31.35 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.54 111.099 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.49 -22.25 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 61.31 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.07 -55.46 27.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 72.44 111.136 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.72 -34.95 13.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 75.35 112.346 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -66.36 -32.36 73.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 63.41 110.931 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.7 p -106.77 46.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 41.52 111.17 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.39 122.49 29.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.12 -46.84 1.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 52.15 112.488 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -71.09 133.11 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.14 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.11 91.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.78 114.8 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 72.22 112.438 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.49 138.53 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 65.21 111.134 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.15 116.76 32.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.25 129.61 14.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.148 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.82 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.865 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.64 -163.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 55.23 110.848 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.33 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.163 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -23.27 62.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.13 110.87 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.655 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -83.36 -17.0 67.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 74.21 112.531 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.73 25.92 11.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 75.52 110.929 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -71.4 101.6 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.84 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -56.34 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.52 -35.93 70.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -67.49 -43.43 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.74 HD12 HG21 ' A' ' 89' ' ' ILE . 45.6 mm -63.09 -47.17 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 74.35 111.118 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.31 -35.52 80.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -69.47 -48.17 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.883 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -68.04 -38.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 73.01 111.112 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -21.76 55.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 61.51 29.99 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 41.51 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.852 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 105' ' ' LEU . 41.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.791 0.329 . . . . 43.33 111.161 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.92 137.05 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.871 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.0 p -74.47 123.66 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.3 111.086 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 149.37 50.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.106 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.47 -34.09 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 71.3 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.61 -40.08 82.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.843 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 m -66.85 -45.03 79.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.661 HG22 HD11 ' A' ' 116' ' ' LEU . 37.1 t -58.79 -49.31 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.169 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 62.43 111.153 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.59 86.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 62.21 111.092 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 117' ' ' THR . 10.7 mt -68.78 -41.32 78.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -45.98 85.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -37.0 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -60.52 -36.83 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.921 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.621 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.7 ptm180 -63.28 -24.56 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.902 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.94 20.38 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.31 46.54 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.852 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.09 -40.1 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -78.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.875 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.57 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 72.35 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.3 p90 -145.3 136.38 24.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.919 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -124.54 128.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 72' ' ' ALA . 5.6 mm -107.52 128.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.34 111.122 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 154.8 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -139.71 162.61 34.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.639 HD12 ' CG ' ' A' ' 69' ' ' PRO . 20.1 mt -85.83 127.4 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.091 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 46' ' ' ALA . 83.7 t -110.14 128.26 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 62.25 16.21 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.932 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 105' ' ' LEU . 8.5 mp0 48.66 31.7 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.954 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -40.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 62.32 110.903 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.01 127.23 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.893 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 16' ' ' VAL . 45.3 mt -80.58 131.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 54.44 111.158 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.37 165.71 23.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.24 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.36 138.57 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 54.04 111.167 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.58 -49.31 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -160.94 109.67 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.487 HD11 ' OE2' ' A' ' 52' ' ' GLU . 11.7 tt -95.61 147.74 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 35.13 111.093 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA2' ' HB3' ' A' ' 55' ' ' ALA . . . -87.26 -92.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 75.44 112.476 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 50' ' ' ILE . 3.9 mt-10 65.29 53.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 73.13 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 51.64 29.84 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.908 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.98 -32.62 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 44.35 112.531 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -99.04 131.97 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 34.41 111.124 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.08 173.37 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 55.44 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -69.89 -34.08 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.839 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.7 -47.87 81.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.77 -31.03 64.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.44 -48.82 73.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.51 -41.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 71.15 111.117 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.39 -40.17 85.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.866 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.05 -54.03 8.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.04 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 36' ' ' ILE . 34.0 mm -63.35 124.9 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.098 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.34 -170.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.31 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 66.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.23 -63.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 63.2 110.902 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -80.99 152.79 71.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 74.34 111.133 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.639 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 131.4 21.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 53.02 112.32 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.5 m -147.21 142.29 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.53 110.885 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -122.54 130.23 52.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.92 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.502 ' CB ' HD12 ' A' ' 36' ' ' ILE . . . -113.44 121.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 73.34 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.85 110.12 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.151 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -113.56 127.39 56.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.14 124.39 39.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.06 111.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 52.32 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 65.43 110.895 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.853 0.359 . . . . 73.15 110.851 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.21 134.59 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.874 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 121.81 32.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 60.33 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 28' ' ' ARG . 7.9 mp -90.93 132.84 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.913 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.737 HG21 HG23 ' A' ' 136' ' ' ILE . 3.5 mm -118.23 148.31 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 54.51 111.106 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -125.11 119.92 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.93 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.05 127.2 74.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.102 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 128.96 53.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 61.53 110.84 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.752 ' CZ3' HD21 ' A' ' 131' ' ' LEU . 2.5 t90 -111.62 114.78 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.899 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.33 129.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 74.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.89 24.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 61.24 112.355 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.98 -25.1 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.88 13.77 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.851 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.48 -98.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 54.25 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -128.25 159.66 66.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 75.03 111.058 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.72 -38.94 7.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 73.22 112.374 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -63.63 -45.24 91.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.872 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.4 t -70.52 -37.46 74.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 52.24 111.159 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -48.39 80.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.874 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -46.82 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.895 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 42' ' ' GLN . 26.2 mt -55.1 -30.53 59.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.939 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.04 -33.83 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.895 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -91.33 -30.75 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.873 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -67.19 -42.5 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 54.41 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.3 p -83.32 -20.61 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -61.66 -39.33 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.857 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.8 95.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.914 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.35 -23.6 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.098 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.82 -17.33 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 61.23 110.956 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -60.83 -55.47 44.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.651 0.739 . . . . 70.52 111.098 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 -36.09 11.5 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 75.14 112.362 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -68.67 -47.52 66.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.05 110.91 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 24' ' ' LEU . 23.7 p -111.43 49.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.15 111.166 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.26 138.92 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.963 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.88 10.11 57.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.79 -0.719 . . . . 55.22 112.477 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -123.78 120.08 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 74.21 110.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -51.94 103.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.25 119.53 6.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.34 112.471 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.38 138.59 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 73.24 111.172 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -107.01 124.11 49.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.546 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.44 129.34 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.093 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -97.84 156.94 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 43.55 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.07 -163.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.854 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.31 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.31 111.154 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -59.7 -23.49 63.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.603 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -104.64 28.82 13.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 55.34 112.487 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.752 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 78.5 mt -141.07 20.99 2.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.346 . . . . 75.34 110.922 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -85.92 96.04 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.832 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.34 -38.19 65.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -57.49 -33.02 67.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -41.88 81.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.737 HG23 HG21 ' A' ' 89' ' ' ILE . 79.0 mt -67.09 -47.08 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 72.01 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.4 p -62.57 -39.51 93.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 43.53 110.866 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -69.07 -37.12 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.43 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -48.35 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.899 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.83 -37.93 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 33.35 111.137 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.28 -34.21 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.916 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.73 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.82 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 53.24 42.41 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.816 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.663 ' CG2' HD22 ' A' ' 105' ' ' LEU . 42.8 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 61.3 111.125 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.81 137.25 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 64.04 110.89 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -73.14 127.81 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' ILE . . . -67.59 149.38 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.14 111.156 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.39 -36.96 62.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 73.33 110.821 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -36.88 71.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.887 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.78 -45.11 72.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.33 -51.9 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.35 111.132 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -62.4 -42.49 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.142 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -57.85 -42.96 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.069 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.15 -41.96 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 53.04 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -46.18 83.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 51.04 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.78 -37.13 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.617 HD13 HG13 ' A' ' 35' ' ' VAL . 2.6 tp -59.22 -36.78 76.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.623 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.3 ptm180 -62.93 -24.55 67.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 65.5 110.885 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -101.4 20.3 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 62.02 46.7 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.933 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -72.88 -38.54 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 54.41 110.898 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.55 -79.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' C ' HD11 ' A' ' 27' ' ' LEU . 1.3 tpt180 179.0 -67.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.86 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.75 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -143.72 144.65 31.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.953 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 50' ' ' ILE . 16.1 m -130.99 116.03 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.153 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -104.54 136.82 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.151 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.91 155.96 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.899 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.29 163.97 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.851 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.645 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.3 mt -87.01 129.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.112 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 46' ' ' ALA . 94.8 t -114.67 128.35 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.75 15.91 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.868 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.638 ' CG ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER 48.67 32.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.34 -40.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.896 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.7 127.32 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.884 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 57.9 mt -83.85 131.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 43.32 111.111 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -126.44 161.85 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 61.12 111.085 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.82 138.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.075 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -110.83 -57.19 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.633 HG21 ' HB1' ' A' ' 63' ' ' ALA . 48.6 p -149.36 99.32 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 71.53 111.157 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.726 HG13 HG12 ' A' ' 35' ' ' VAL . 19.0 tt -96.08 140.84 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 60.53 111.157 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.97 -171.83 22.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 65.43 112.487 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -158.82 -49.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.21 110.874 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 177.73 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.67 -15.99 1.08 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 62.3 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.75 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -66.59 95.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 72.12 111.12 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -71.49 177.57 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 43.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 61' ' ' ILE . 44.8 p90 -69.56 -29.09 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.873 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.07 -47.27 85.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.82 -31.79 68.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.39 -51.75 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.886 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 57' ' ' PHE . 1.4 tt -70.35 -35.51 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 55.24 111.175 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.633 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -75.29 -53.91 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 70.21 111.08 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.6 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.107 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -136.09 114.55 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.872 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 105.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.01 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG21 ' A' ' 102' ' ' THR . 2.8 t-20 179.91 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.947 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -81.59 154.7 71.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 63.14 111.151 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.71 110.58 2.58 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 75.34 112.37 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.9 m -130.27 151.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.92 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.85 130.03 46.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.915 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.28 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.45 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.54 115.31 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 51.12 111.125 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.47 127.25 55.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.943 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 119.66 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -133.09 130.63 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.844 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 73.34 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.34 134.56 49.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -132.7 133.84 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.887 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.623 HD21 ' CA ' ' A' ' 28' ' ' ARG . 5.6 mp -108.5 129.51 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.93 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 136' ' ' ILE . 3.4 mp -115.12 152.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.116 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.58 120.77 31.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 42.33 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD11 ' A' ' 136' ' ' ILE . 3.7 mp -117.01 128.97 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.2 111.175 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.7 t -130.03 139.15 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -106.56 115.22 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -151.81 90.33 3.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 72.14 110.949 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.65 23.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 64.14 112.377 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -57.89 -25.2 60.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 p -94.47 12.99 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.808 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -88.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 54.12 112.471 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.89 150.64 43.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 74.43 111.114 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.99 9.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.711 2.274 . . . . 70.4 112.327 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -67.84 -36.0 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' N ' ' A' ' 69' ' ' PRO . 97.3 m -68.05 -46.08 72.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 64.21 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.62 -39.17 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.925 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -48.26 49.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.838 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.663 HD22 ' CG2' ' A' ' 14' ' ' VAL . 25.7 mt -56.94 -29.94 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 52.23 110.909 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.58 -49.02 78.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.929 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -29.47 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 73.54 110.837 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.9 m -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 75.52 110.843 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.25 -23.49 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 114' ' ' VAL . 11.2 ttt180 -65.19 -39.49 92.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.892 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -62.13 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.91 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -22.85 44.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.04 111.119 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.43 -22.93 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.21 -55.55 38.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 51.34 111.103 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.78 -34.79 13.81 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 64.44 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.67 -41.13 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 54.31 110.891 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.4 p -101.6 61.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.135 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 125.24 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 70.33 110.933 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.02 53.23 19.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 45.02 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.61 158.23 38.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 73.33 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -102.43 82.9 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.03 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.36 116.51 4.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 52.23 112.465 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.45 132.53 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 63.13 111.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.82 116.86 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.81 142.79 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.122 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -97.65 155.99 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 64.2 -160.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.879 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.29 -26.02 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.44 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.5 m -59.88 -24.97 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.848 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.421 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.12 42.48 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 74.02 112.495 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.33 32.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 73.3 110.894 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -89.33 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.857 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.03 -47.67 64.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.926 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.48 -33.43 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 75.02 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.79 -40.59 79.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 89' ' ' ILE . 42.6 mm -67.05 -47.03 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.13 111.121 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -64.48 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.858 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -38.0 79.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 75.21 110.855 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -48.68 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.5 p -68.07 -37.85 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 63.21 111.132 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -71.56 -32.34 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.8 t -82.0 -31.19 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.864 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.83 47.23 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 72.11 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 137.76 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.826 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.684 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.5 p -73.31 125.99 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.15 111.124 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.8 160.73 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 53.51 111.062 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.19 -39.98 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.9 -41.13 81.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -66.09 -44.91 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.932 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.64 -46.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.108 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -65.03 -42.38 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.0 -46.39 85.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 44.34 111.147 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 117' ' ' THR . 79.5 mt -67.69 -40.24 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.907 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.02 -45.81 86.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.12 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.72 -37.08 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD13 HG23 ' A' ' 35' ' ' VAL . 11.6 tp -57.98 -44.64 87.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.81 -24.16 67.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.884 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.66 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.858 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 46.63 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 64.44 110.915 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.896 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -76.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.841 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -179.94 -64.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.871 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.03 148.39 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 70.51 110.923 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.727 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -130.95 122.6 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.109 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.89 129.94 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.16 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -131.04 152.99 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.886 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -133.31 163.76 28.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 69' ' ' PRO . 57.7 mt -85.71 124.73 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 62.02 111.155 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 46' ' ' ALA . 96.7 t -114.06 139.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.108 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLN . 18.9 t0 56.64 23.22 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' ASP . 16.8 pt20 38.34 47.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.921 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -165.23 -38.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -122.96 127.07 48.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 41.54 110.833 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 16' ' ' VAL . 46.8 mt -82.11 131.17 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 74.12 111.139 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -125.32 165.32 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 70.25 111.083 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.01 135.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.25 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -50.61 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 m -160.66 105.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.45 111.139 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 HG13 ' A' ' 35' ' ' VAL . 20.4 tt -95.89 147.6 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.138 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.34 179.74 21.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.526 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.06 71.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 65.13 110.867 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 52.27 33.75 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.56 -39.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 41.34 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HB3' ' HE1' ' A' ' 34' ' ' TYR . . . -55.78 107.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 72.52 111.067 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -71.72 162.66 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.872 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.24 -46.54 89.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 54.01 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.76 -31.51 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 63.25 110.912 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.3 t80 -65.97 -46.53 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.915 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.8 mm -71.05 -44.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 63.13 111.122 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -59.41 -40.49 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.908 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.36 -53.22 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.11 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 60' ' ' PHE . 14.3 tt -68.85 146.9 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.176 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.48 118.05 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.868 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -69.35 90.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.961 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -179.33 -74.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -59.65 155.28 40.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 62.31 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.7 87.08 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 75.03 112.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 64' ' ' ILE . 17.9 p -109.96 156.12 20.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 50.13 110.854 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.515 ' HD2' HD21 ' A' ' 90' ' ' LEU . 59.0 m-85 -128.76 130.19 46.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.881 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.2 126.27 53.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 72.45 111.122 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.52 136.07 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -137.44 127.58 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.895 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.08 125.55 40.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 65.4 110.836 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -139.16 135.85 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.827 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.777 0.322 . . . . 71.45 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.53 134.61 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.851 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 134.19 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.878 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -108.81 133.0 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.43 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -114.84 160.52 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 60.04 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 71' ' ' TYR . 8.7 tt -135.54 125.98 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 64.32 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.04 129.8 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 61.41 111.094 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.41 138.36 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.832 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.429 ' CZ2' HD21 ' A' ' 131' ' ' LEU . 28.4 m0 -102.86 115.07 29.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.944 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.13 92.27 1.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 72.13 110.866 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 139.43 40.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 70.15 112.33 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.56 -22.93 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -102.53 13.64 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 61.54 110.865 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.53 -89.67 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 51.45 112.466 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.633 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -144.79 152.14 51.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 41.12 111.084 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.69 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 54.22 112.314 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -62.7 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.2 110.889 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.0 p -63.41 -45.84 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.5 111.177 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -57.79 -44.91 86.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -42.7 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.901 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.5 mp -55.04 -29.52 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -58.63 -49.14 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.928 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -26.59 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.2 110.861 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 t -67.35 -21.93 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 54.21 110.858 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.29 -19.38 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.86 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 73.35 110.835 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.14 -36.34 82.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 64.1 110.9 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.25 -22.97 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -25.98 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.02 -55.6 29.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 72.44 111.102 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.78 -30.45 22.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 62.44 112.374 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -66.26 -34.29 77.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.9 p -126.61 64.77 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 71.21 111.109 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.53 122.4 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.83 7.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 60.45 112.493 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.31 158.34 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 72.44 110.871 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.511 ' HB2' HG22 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -103.87 89.89 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.956 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.97 113.35 4.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 34.45 112.494 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.44 138.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 70.22 111.127 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.04 118.72 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.516 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.92 129.45 14.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 63.45 111.095 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -98.76 157.51 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.842 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.3 -163.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.32 110.84 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.21 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.14 111.157 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -23.31 63.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.569 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.71 16.38 43.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 34.41 112.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 130' ' ' GLY . 8.4 mt -130.01 23.69 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 74.33 110.896 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.31 95.97 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.844 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -52.07 -41.1 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.887 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.6 -31.8 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.71 -44.28 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.19 -47.17 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 72.4 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.1 p -62.81 -40.12 96.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 61.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -36.13 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.45 110.851 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -67.29 -48.39 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 65.2 110.883 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.99 -37.92 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -66.76 -28.4 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 61.03 110.939 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.8 t -88.25 -31.36 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 56.26 30.56 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 53.21 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.361 . . . . 71.15 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.62 33.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.846 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.4 p -73.39 122.28 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.182 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -79.07 156.13 28.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.085 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -53.48 -29.8 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 3.0 pt-20 -60.31 -41.85 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.912 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -45.13 80.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 64.53 110.862 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.934 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.69 -45.72 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 60.42 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -65.87 -43.12 89.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.098 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.36 87.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 55.52 111.11 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 37' ' ' MET . 11.0 mt -69.0 -41.19 78.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -45.99 84.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.907 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.63 -37.97 70.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.046 HD13 HG13 ' A' ' 35' ' ' VAL . 5.1 tp -59.01 -36.89 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -62.9 -24.6 67.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.86 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -96.86 17.6 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 62.12 46.87 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.921 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -32.65 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.886 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.69 -84.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 52.55 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -153.14 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 27' ' ' LEU . 33.5 p90 -144.57 155.68 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.905 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.046 HG13 HD13 ' A' ' 27' ' ' LEU . 31.4 m -126.87 124.47 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.54 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 64' ' ' ILE . 18.2 mt -110.34 124.25 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.13 111.131 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -127.21 155.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.89 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -137.22 168.27 19.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 64.42 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.1 mt -85.72 126.44 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.123 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 46' ' ' ALA . 61.8 t -109.46 129.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.112 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 62.36 16.14 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.865 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 48.81 31.4 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.933 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.01 -41.33 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.893 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.93 126.89 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 51.52 110.86 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 16' ' ' VAL . 76.1 mt -80.66 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 72.22 111.127 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -133.38 159.21 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.089 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.3 m -77.11 138.35 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 52.01 111.143 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -44.39 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 70.54 110.891 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -161.46 119.62 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.126 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.7 pt -101.32 147.75 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.24 111.118 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.35 133.74 11.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 62.42 112.486 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -121.67 45.68 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 74.13 110.875 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 63.04 16.34 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.83 6.29 3.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 63.23 112.503 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.42 112.62 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 70.05 111.15 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 164.15 26.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -69.36 -41.05 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -46.94 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 54.15 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -70.15 -31.48 69.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.06 -47.53 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -35.61 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 35.22 111.135 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.79 -40.75 96.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 61.01 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.98 -51.44 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.93 HD11 HG21 ' A' ' 36' ' ' ILE . 39.8 mm -67.79 132.77 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.32 111.102 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.51 117.36 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.08 90.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -179.33 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 71.02 110.912 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 m -64.53 154.71 83.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 61.35 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.611 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.75 118.91 5.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 74.14 112.335 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.7 m -140.67 149.71 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 54.4 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.16 131.46 47.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.919 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 126.76 47.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.35 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.79 127.55 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -115.3 127.46 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.878 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.09 120.55 39.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -117.73 119.14 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 51.25 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.842 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 72.54 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -145.19 134.55 23.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 43.13 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.612 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -134.7 140.58 46.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.884 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 28' ' ' ARG . 7.4 mp -107.93 132.12 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 63.44 110.93 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.664 HG21 HD12 ' A' ' 136' ' ' ILE . 4.1 mm -114.93 148.25 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.13 111.125 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.59 120.12 26.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.945 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.49 122.25 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.145 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.4 133.79 45.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HH2' HD23 ' A' ' 131' ' ' LEU . 57.7 m95 -99.17 115.51 29.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.957 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.77 86.44 1.09 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 75.4 110.898 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 132.4 23.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 75.24 112.368 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -58.11 -25.03 60.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 61.23 110.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -98.73 13.25 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.865 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.36 -110.75 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 70.42 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -128.08 160.04 63.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 63.11 111.117 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.71 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 64.25 112.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.82 -35.77 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.757 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.1 p -64.59 -45.57 86.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 51.12 111.128 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -68.23 -37.77 81.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.3 tpt -70.06 -48.03 59.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.38 -30.16 62.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 64.11 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.96 -41.73 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -77.44 -39.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -66.02 -25.14 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 60.33 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 t -100.56 -20.57 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 63.13 110.889 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -61.36 -39.23 89.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.87 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -41.27 99.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.866 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -24.45 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.49 -24.9 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.9 -55.41 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 73.02 111.109 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.43 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 75.41 112.394 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.934 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.45 -32.62 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 61.25 110.946 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.2 p -129.94 51.83 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.116 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -85.38 123.34 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 61.21 110.898 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.06 8.36 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 54.31 112.465 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.409 ' CZ ' HD22 ' A' ' 88' ' ' LEU . 5.1 m-85 -123.86 141.55 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 73.45 110.913 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -62.66 94.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.42 112.96 4.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.455 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HD3' ' A' ' 139' ' ' LYS . 2.1 mp -131.37 134.89 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 74.31 111.132 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 118.5 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 63.15 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.01 134.8 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.51 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.06 156.59 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.3 t0 63.14 -162.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.843 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.14 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -24.09 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.819 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.98 1.06 38.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 63.43 112.464 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.7 mt -114.3 23.58 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 73.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -86.55 97.82 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.841 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.34 -40.75 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 61.4 110.833 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -57.43 -33.96 68.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.39 -40.47 85.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.664 HD12 HG21 ' A' ' 89' ' ' ILE . 48.3 mm -67.97 -47.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.41 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.6 m -61.9 -40.41 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -69.45 -36.44 76.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 123' ' ' ILE . 6.5 mttp -64.66 -48.66 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.3 p -67.86 -37.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.154 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -70.66 -30.87 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 63.44 110.892 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.2 t -68.97 -36.95 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.857 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.23 28.99 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.9 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.841 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 109' ' ' SER . 9.3 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.871 0.367 . . . . 74.31 111.112 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.06 137.62 18.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 63.44 110.885 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.672 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.4 p -75.8 124.68 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.131 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.69 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 61.41 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -58.03 -36.76 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -41.86 81.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.917 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -64.1 -44.97 90.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.7 -51.85 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 63.24 111.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -59.67 -43.09 94.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 64.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.36 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 64.22 111.1 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -63.08 -42.97 99.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.1 -45.85 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -41.53 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.892 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 35' ' ' VAL . 5.8 tp -60.46 -36.08 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 110.91 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.46 -25.44 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -100.3 20.3 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 60.44 46.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.884 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -32.67 71.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -76.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.843 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -175.91 -68.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.778 ' HA ' HD21 ' A' ' 27' ' ' LEU . 2.4 p90 -144.84 152.34 40.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.893 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.971 HG13 HD13 ' A' ' 27' ' ' LEU . 27.8 m -130.32 124.82 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.112 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mt -103.02 128.32 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.13 111.145 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -120.46 148.25 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -128.37 151.4 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.3 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 69' ' ' PRO . 49.7 mt -84.81 122.07 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.549 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 88.4 t -105.93 135.19 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 70.01 111.116 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.2 m-20 50.98 32.57 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.11 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 41' ' ' ASP . 12.0 pm0 30.16 52.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.908 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -164.25 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 63.11 110.936 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -125.22 127.16 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 54.32 110.893 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 16' ' ' VAL . 73.3 mt -81.69 131.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.175 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . . . -129.6 157.26 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.45 111.103 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.06 133.55 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.114 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -102.24 -56.85 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.931 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -161.37 112.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 60.43 111.17 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.729 HG13 HG12 ' A' ' 35' ' ' VAL . 14.7 tt -96.25 144.69 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.54 111.128 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.97 -168.3 33.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 53.35 112.509 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -174.09 46.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 74.53 110.886 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.89 -61.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.924 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.6 -12.84 57.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.486 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.698 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.31 116.8 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.24 111.083 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -78.22 167.63 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.873 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -32.96 72.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.22 -46.98 84.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.98 -36.69 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 52.54 110.921 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.439 ' CE1' HG21 ' A' ' 64' ' ' ILE . 7.9 t80 -61.98 -48.06 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 60.1 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.61 -43.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 71.32 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.47 -37.86 79.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 60.33 110.888 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.26 -55.41 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.34 111.075 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.1 pp -68.92 134.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 63.43 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -123.27 123.32 40.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -72.37 79.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.914 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -179.53 -57.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.42 153.08 61.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 72.02 111.098 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.526 ' HG3' HD23 ' A' ' 105' ' ' LEU . 53.2 Cg_endo -69.81 115.26 4.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 73.13 112.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.8 p -140.38 141.97 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.668 ' OH ' HG21 ' A' ' 45' ' ' ILE . 50.5 p90 -129.17 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.945 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.69 133.22 56.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 71.11 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -106.81 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.23 111.107 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.6 127.37 56.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.31 120.15 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.55 110.864 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -121.56 166.68 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.854 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.919 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 71.34 110.835 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -138.49 135.41 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 136.59 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 50.54 110.881 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -108.53 134.36 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.923 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.77 150.64 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.092 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.03 119.01 33.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.921 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.8 130.06 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.129 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 138.44 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -120.78 114.84 22.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.899 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 178.96 140.35 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 70.44 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.5 23.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 62.24 112.35 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -20.42 65.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.31 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -108.74 13.84 24.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 41.54 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 -98.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 72.35 112.51 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.616 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -124.2 159.8 55.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 72.31 111.047 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.633 2.222 . . . . 74.45 112.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' NE ' HG23 ' A' ' 102' ' ' THR . 4.4 ppt_? -68.29 -41.37 81.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 66.4 p -65.33 -43.99 89.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 61.42 111.14 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -57.89 -48.16 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -31.57 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.871 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.526 HD23 ' HG3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -55.18 -30.15 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 70.2 110.903 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 -39.54 21.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.811 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -28.13 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 65.05 110.842 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 14' ' ' VAL . 51.7 p -99.34 -24.59 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 61.41 110.881 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -39.38 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -42.05 97.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.856 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.99 -22.99 44.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.116 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -24.79 31.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.89 -55.33 34.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 63.02 111.158 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.77 -33.13 17.18 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 54.11 112.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -45.59 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.858 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 24' ' ' LEU . 9.5 p -109.74 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.101 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 122.49 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 75.12 110.959 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.56 29.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 60.1 112.467 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -128.87 157.09 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 52.12 110.88 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.65 137.58 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.94 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.78 120.53 4.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 54.52 112.566 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.41 136.11 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 74.45 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -107.76 126.86 53.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.03 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.596 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.51 131.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.3 111.087 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.76 156.02 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.26 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.27 13.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 45.02 111.122 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -23.23 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 60.54 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.596 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.28 31.56 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 54.53 112.482 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 130' ' ' GLY . 15.4 mt -146.67 22.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 71.12 110.91 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.64 96.02 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -44.35 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.926 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.49 -33.27 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -40.98 83.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.883 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.8 mm -67.76 -47.18 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.11 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -39.74 94.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.31 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.11 77.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 71.34 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -65.06 -48.44 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.79 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.136 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.81 -35.69 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.01 110.859 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -68.09 -33.71 75.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.837 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 62.25 47.01 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.887 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.755 HG21 ' OG ' ' A' ' 109' ' ' SER . 5.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.858 0.361 . . . . 74.35 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -142.98 137.56 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 51.22 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.623 HG11 ' CD2' ' A' ' 116' ' ' LEU . 6.6 p -73.53 122.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.106 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 155.42 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.105 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.31 -36.89 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.854 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.81 -37.76 74.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -68.7 -45.05 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 65.1 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 116' ' ' LEU . 22.1 t -58.71 -52.25 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 70.45 111.179 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -62.86 -41.25 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 65.22 111.174 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.86 86.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 55.21 111.113 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.46 -41.57 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.07 -46.21 82.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.888 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -71.49 -41.28 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.851 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 HG13 ' A' ' 35' ' ' VAL . 1.1 tp -55.93 -35.29 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.924 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.48 -24.9 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.84 19.1 15.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 65.11 110.847 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt 62.04 47.01 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.864 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.12 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.04 110.886 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 -78.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.843 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 179.17 -72.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 71.34 110.911 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -135.56 141.4 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.921 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.661 HG12 HG13 ' A' ' 50' ' ' ILE . 15.7 m -127.67 118.73 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 70.43 111.159 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 mt -108.52 137.04 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 75.53 111.148 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.99 156.08 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.852 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.22 165.12 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.851 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.596 HD12 ' CG ' ' A' ' 69' ' ' PRO . 17.1 mt -85.82 126.07 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.126 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 t -108.85 132.8 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.13 111.069 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER 51.18 33.95 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.22 110.898 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 41' ' ' ASP . 11.8 pm0 29.43 54.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.924 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -164.6 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 127.33 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.13 110.86 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.437 HD12 HG12 ' A' ' 39' ' ' ILE . 29.3 mm -81.46 131.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 74.3 111.149 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.87 166.02 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.117 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.19 138.57 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.103 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -109.8 -56.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.564 HG21 ' HB1' ' A' ' 63' ' ' ALA . 56.1 p -150.04 101.05 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.661 HG13 HG12 ' A' ' 35' ' ' VAL . 14.4 tt -96.62 139.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.197 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.46 -171.12 22.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 43.21 112.505 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.98 -51.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 63.31 110.895 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 179.1 33.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.12 21.09 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 73.04 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -96.89 99.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.32 111.097 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.59 170.66 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -69.42 -33.79 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.926 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.69 -47.03 87.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -68.52 -31.56 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.902 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.633 ' O ' HG22 ' A' ' 64' ' ' ILE . 41.4 t80 -65.31 -50.03 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' HA ' HG22 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.68 -36.16 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.54 111.153 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -40.47 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.824 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -72.92 -52.09 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.094 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 60' ' ' PHE . 20.4 tt -72.19 147.35 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.23 111.133 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.42 131.52 41.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 61.51 110.87 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 88.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.46 -74.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.45 110.904 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.94 152.41 95.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 71.11 111.123 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.596 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 71.32 112.337 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.1 p -174.7 148.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 90' ' ' LEU . 44.6 m-85 -128.99 134.32 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.91 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.75 116.52 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 74.02 111.079 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.65 109.52 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 62.05 111.102 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 89' ' ' ILE . 34.4 p90 -113.44 141.17 47.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.877 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -91.74 124.43 35.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 60.34 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.45 174.37 7.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.902 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.901 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.842 0.354 . . . . 74.53 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -113.19 134.57 54.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.21 122.42 12.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.965 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.36 138.01 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 72.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 3.2 mp -119.21 148.98 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 61.43 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 71' ' ' TYR . 5.8 tp -124.92 119.9 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.927 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.7 mt -109.06 125.52 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.112 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.8 138.77 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.823 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.86 115.31 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.925 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -151.9 79.37 6.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 53.2 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.24 22.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 65.34 112.356 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.46 -21.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.845 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -104.0 13.67 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.811 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -103.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 34.45 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -145.2 159.94 47.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.8 -38.17 8.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 75.41 112.355 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.604 ' O ' HD13 ' A' ' 105' ' ' LEU . 2.5 mtm180 -68.09 -44.81 75.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.87 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 99' ' ' ALA . 8.0 t -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.15 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -58.01 -48.29 80.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.898 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -38.86 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 101' ' ' ARG . 3.0 mp -55.06 -36.26 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.89 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.05 -42.23 89.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -38.61 58.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.828 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 -24.41 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.906 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.755 ' OG ' HG21 ' A' ' 14' ' ' VAL . 3.3 m -101.7 -19.95 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 60.04 110.857 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.2 mtm180 -63.2 -39.38 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.19 90.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.53 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.08 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.17 -22.28 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.94 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -53.11 -55.62 32.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 73.42 111.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 64.43 112.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.41 -48.05 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.929 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -110.71 62.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.157 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -85.46 122.7 29.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.13 -41.08 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 50.01 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.04 135.43 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 62.04 110.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.438 ' HB3' HD11 ' A' ' 123' ' ' ILE . 2.9 mp0 -64.22 96.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.887 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.41 114.85 4.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.478 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 139' ' ' LYS . 3.7 mp -131.49 138.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 62.12 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -105.48 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.603 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.77 132.68 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 65.44 111.097 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -100.78 155.91 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.867 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.84 -163.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.891 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.01 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.081 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -21.36 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.865 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.603 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -99.37 18.18 56.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 52.13 112.528 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 130' ' ' GLY . 7.7 mt -133.57 20.42 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 75.41 110.919 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.24 107.38 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.884 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 60.53 110.93 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.76 -37.76 85.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.896 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -67.1 -43.26 82.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.519 HG23 HG21 ' A' ' 89' ' ' ILE . 47.9 mm -63.45 -47.17 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 65.42 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 50.53 110.84 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -66.1 -36.64 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.746 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.3 OUTLIER -67.92 -48.49 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.43 110.889 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.78 -37.84 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 45.14 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -61.31 -35.37 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 52.54 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.3 t -88.01 -26.39 22.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.1 110.85 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 56.28 26.41 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 61.34 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.599 HG21 ' CB ' ' A' ' 109' ' ' SER . 4.4 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 64.25 111.113 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.95 137.55 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.84 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.2 p -76.99 128.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.148 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 160.74 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 31.13 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.25 -42.94 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 53.12 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.32 -34.43 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.89 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -71.67 -40.34 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG22 HD11 ' A' ' 116' ' ' LEU . 61.5 t -63.48 -50.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -44.36 85.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.15 85.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.079 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.29 -41.05 77.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.91 -46.42 84.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.875 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.11 -36.87 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 88' ' ' LEU . 6.9 tp -60.12 -36.24 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.892 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.8 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.887 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -98.82 20.74 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 62.33 46.67 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -48.18 24.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.849 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.51 -79.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.844 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER 177.2 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.889 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.38 136.8 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.904 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.539 HG12 HD22 ' A' ' 27' ' ' LEU . 7.1 p -128.02 126.01 65.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 51.2 111.138 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.677 HD13 HD11 ' A' ' 64' ' ' ILE . 12.0 mt -102.98 129.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.126 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -125.87 151.15 47.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 71.34 110.835 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -131.96 164.03 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.841 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.632 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.6 mt -85.85 126.25 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.116 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.7 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -110.59 127.86 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.23 111.158 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.05 15.66 8.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.857 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.654 ' CG ' HD11 ' A' ' 105' ' ' LEU . 36.1 mt-30 48.62 33.12 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -146.3 -40.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.55 110.86 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -123.25 127.42 48.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 52.02 110.833 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 14' ' ' VAL . 22.4 mm -81.18 131.55 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.25 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.91 165.33 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.105 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.34 138.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.45 111.12 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 -49.24 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.913 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -161.64 112.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -95.6 147.8 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 65.04 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.38 -64.67 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.476 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 39.25 45.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 74.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 63.83 54.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.81 -38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.47 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 115.79 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 42.51 111.079 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.88 178.25 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -42.6 82.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.896 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -41.55 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.858 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -74.47 -31.0 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.52 110.92 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.01 -45.87 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.59 -44.13 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 53.1 111.158 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.63 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.11 -51.1 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 63.1 111.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 HD13 ' A' ' 36' ' ' ILE . 40.1 mm -72.51 124.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.145 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 165.99 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.81 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 98.2 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 70.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.88 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.48 154.3 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 73.4 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 112.36 3.06 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 75.51 112.345 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.9 139.51 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.604 ' HD2' HD11 ' A' ' 90' ' ' LEU . 55.7 p90 -128.85 131.67 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.945 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 93' ' ' TRP . . . -113.63 127.2 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 60.12 111.15 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -106.95 110.87 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.02 111.055 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.61 ' HE1' HD11 ' A' ' 91' ' ' ILE . 5.3 p90 -116.26 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.848 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.66 129.35 41.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.22 165.3 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 70.34 110.881 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.912 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.745 0.307 . . . . 61.54 110.902 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -134.05 140.58 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 123.02 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.915 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -90.76 131.77 36.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 54.54 110.906 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.66 HD13 ' C ' ' A' ' 88' ' ' LEU . 1.6 mm -119.9 148.73 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 62.41 111.096 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 73' ' ' ALA . 6.1 tp -118.39 119.92 36.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 61.15 110.903 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.61 HD11 ' HE1' ' A' ' 74' ' ' PHE . 4.0 mp -117.37 127.37 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.03 111.118 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.72 136.63 46.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.462 ' NE1' HD12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -123.85 117.25 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.887 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.64 151.38 0.54 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 62.23 110.914 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 131.83 22.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 72.44 112.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.92 -36.63 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.901 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.66 13.79 29.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 60.21 110.846 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.88 -89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 73.41 112.499 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.588 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -128.54 160.24 63.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.713 . . . . 73.33 111.088 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.79 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 75.05 112.34 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -68.23 -38.84 82.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.4 110.854 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.588 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 26.5 p -62.8 -45.83 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.129 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -48.34 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.857 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -30.6 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 62.44 110.844 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 ' CG ' ' A' ' 42' ' ' GLN . 9.8 mt -66.97 -31.06 71.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.32 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.58 -48.82 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.15 110.829 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 t -56.52 -40.34 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.599 ' CB ' HG21 ' A' ' 14' ' ' VAL . 23.4 p -75.28 -26.26 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 64.34 110.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -63.07 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.887 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.83 -37.16 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.812 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.54 -29.04 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -23.36 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 64.04 110.934 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.47 -55.62 27.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 74.22 111.121 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.69 -33.08 17.56 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 73.04 112.349 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.644 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.47 -42.35 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 53.32 110.912 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -112.49 65.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 64.41 111.113 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.49 122.52 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 70.13 110.936 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.33 -41.73 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 71.52 112.507 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.13 151.89 43.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 74.4 110.846 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -100.53 127.7 46.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 62.33 110.898 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -110.78 127.07 8.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 64.25 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.71 138.63 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 71.23 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.73 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 130' ' ' GLY . . . -147.52 138.94 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 53.42 111.123 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.69 153.91 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.03 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.32 -161.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 55.52 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.87 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.22 111.126 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -23.63 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.84 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.483 ' CA ' ' HB3' ' A' ' 125' ' ' ALA . . . -116.14 29.2 7.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 61.32 112.487 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 130' ' ' GLY . 19.2 mt -147.48 18.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 73.11 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.47 96.06 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -52.18 -39.79 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.844 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -67.61 -31.79 72.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.898 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.58 -47.48 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.32 -37.58 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 63.32 111.137 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.7 p -67.08 -43.06 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -34.3 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.88 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -67.26 -48.93 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.906 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.574 ' CG2' HD11 ' A' ' 89' ' ' ILE . 11.7 p -68.17 -37.28 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -61.0 -34.83 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.905 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.6 t -86.65 -35.41 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.13 110.839 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.7 t30 54.25 61.94 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 65.12 110.847 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 53.22 110.868 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 39' ' ' ILE . 10.0 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 74.04 111.119 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.81 140.76 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.848 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.754 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -74.16 126.0 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 72.32 111.109 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.21 154.73 27.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -34.09 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.885 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.4 -41.77 80.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.3 m -65.19 -44.39 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 116' ' ' LEU . 22.2 t -58.64 -52.32 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 64.42 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 m -60.01 -45.17 93.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 62.43 111.157 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.59 76.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.55 -48.4 64.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.53 -35.85 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -48.33 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.709 HD11 ' CA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -55.58 -45.47 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.937 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.3 ptm180 -66.53 -24.43 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.52 17.79 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.901 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 62.12 46.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.928 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -74.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.1 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -77.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.842 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.87 -65.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.915 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CA ' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -144.9 153.45 41.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.912 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.626 HG12 HD13 ' A' ' 27' ' ' LEU . 7.1 p -145.17 124.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 25.12 111.124 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.28 135.84 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 73.44 111.079 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.611 ' HG2' HG12 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -136.25 156.07 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.889 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.71 167.96 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.875 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.4 mt -85.7 121.0 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.161 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 46' ' ' ALA . 45.8 t -103.23 130.7 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.131 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.13 16.11 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.84 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 48.47 31.44 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -142.13 -41.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -126.05 126.71 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -81.98 131.23 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.179 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.62 159.12 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.25 111.125 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 37' ' ' MET . 27.2 m -74.78 138.5 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.097 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -108.64 -41.18 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.894 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -161.19 101.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.22 111.183 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 tt -96.62 147.83 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.78 -172.52 24.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 64.2 112.481 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.92 58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 72.44 110.861 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 58.13 27.32 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.88 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.06 -39.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 65.12 112.531 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 115.95 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 61.52 111.079 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.12 161.12 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 63.15 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -69.39 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.7 -46.76 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -67.86 -37.14 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -59.2 -51.56 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.86 -36.1 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.13 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.12 -51.03 13.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 ' H ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -63.35 141.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.02 111.124 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' H ' HD13 ' A' ' 64' ' ' ILE . 12.5 m-20 -116.49 -172.11 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.862 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -128.44 86.09 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.11 110.891 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -173.86 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.898 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 m -88.46 154.44 51.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 63.24 111.155 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.81 115.27 4.02 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 71.45 112.319 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 t -124.73 148.38 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -126.13 129.96 50.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.901 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.607 ' HB1' ' CE1' ' A' ' 74' ' ' PHE . . . -116.26 126.23 53.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 73.11 111.098 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.78 113.8 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.653 ' CE2' HD13 ' A' ' 91' ' ' ILE . 6.1 m-85 -111.25 126.75 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.926 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -91.96 118.8 31.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 52.33 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -121.87 105.65 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.85 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.91 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 64.21 110.863 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -140.57 134.58 30.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 55.42 110.881 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -132.35 121.75 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -94.3 130.46 40.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.4 110.875 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.86 148.91 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.112 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.37 119.62 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' CE2' ' A' ' 74' ' ' PHE . 4.0 mp -117.22 127.11 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.01 111.112 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.41 121.76 42.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.829 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.601 ' CH2' HD23 ' A' ' 131' ' ' LEU . 8.7 m95 -103.31 113.29 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 65.13 110.88 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 t30 176.71 141.5 0.23 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.729 . . . . 72.13 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.41 23.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 75.43 112.331 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -21.23 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 52.22 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.83 14.24 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.841 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.69 -96.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 64.05 112.503 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -125.38 159.86 58.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 35.43 111.048 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.71 -46.72 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 70.11 112.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.587 ' O ' HD13 ' A' ' 105' ' ' LEU . 4.1 ptp180 -67.96 -32.61 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.0 p -72.2 -46.48 56.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.132 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 -35.11 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.89 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.58 -45.97 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.4 mp -55.15 -30.03 58.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.956 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.51 -35.54 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -53.03 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.84 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -52.35 -42.1 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.816 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.5 t -79.29 -24.84 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -39.39 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 53.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.1 -43.32 95.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 -22.86 44.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.675 HD23 HD23 ' A' ' 116' ' ' LEU . 5.4 mt -83.71 -21.27 32.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.33 110.873 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -56.7 -55.39 43.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 73.25 111.116 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.72 -35.7 12.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 61.41 112.343 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 16' ' ' VAL . 26.3 tp -66.37 -46.01 78.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.22 110.902 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 48.5 p -100.85 62.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.72 122.65 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.2 -24.66 29.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 72.41 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -81.68 137.39 35.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 75.42 110.922 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -78.16 103.79 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.69 101.66 2.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.669 -0.776 . . . . 72.33 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 139' ' ' LYS . 3.6 pt -124.64 138.62 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 71.52 111.138 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.18 122.65 46.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.23 127.39 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.76 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 63.71 -164.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.867 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.84 11.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m -58.93 -21.91 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.578 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -86.77 -18.23 58.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 54.43 112.472 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' CH2' ' A' ' 93' ' ' TRP . 7.2 mt -98.25 18.41 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 55.53 110.953 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -71.29 95.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.865 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.31 -42.79 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.893 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.57 -34.2 70.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.875 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.18 -40.04 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.93 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.33 -47.19 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.111 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 m -64.07 -38.23 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.69 -35.94 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.849 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -67.87 -48.15 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.889 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -37.99 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.11 111.131 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.09 -35.71 80.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.03 110.915 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 m -69.0 -34.36 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 64.01 110.846 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 51.83 30.24 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.913 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.785 HG21 ' HB2' ' A' ' 109' ' ' SER . 5.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 71.42 111.132 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.08 138.65 30.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 116' ' ' LEU . 9.9 p -73.4 129.68 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.113 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 157.53 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 63.11 111.072 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.97 -36.89 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.868 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.38 -44.18 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 50.4 t -61.94 -45.38 93.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.882 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 116' ' ' LEU . 21.4 t -59.42 -44.03 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.137 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.7 m -63.32 -46.88 84.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 70.2 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.02 -43.74 86.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 72.44 111.101 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD13 ' CG2' ' A' ' 117' ' ' THR . 10.1 mt -68.99 -32.47 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.76 -46.3 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 62.21 110.917 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.53 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.897 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -65.56 -34.61 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.54 110.936 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.591 HH21 HG22 ' A' ' 117' ' ' THR . 28.2 mtt180 -62.99 -24.54 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.839 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 11.16 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 33.2 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.91 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 p -65.85 -94.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 31.04 110.871 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -143.78 144.12 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.22 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.775 HG23 HD13 ' A' ' 27' ' ' LEU . 26.0 t -130.47 117.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.24 111.126 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.527 HG23 ' HB2' ' A' ' 72' ' ' ALA . 5.9 mt -102.98 130.22 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.3 156.04 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.885 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.59 168.61 18.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' HG2' ' A' ' 69' ' ' PRO . 22.0 mt -85.67 127.19 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.147 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.718 HG21 ' HB3' ' A' ' 46' ' ' ALA . 63.9 t -108.55 128.08 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 62.55 111.152 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.0 16.49 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 48.76 31.23 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 64.1 110.932 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -141.66 -41.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.936 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.36 126.87 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.25 110.837 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.712 HG21 ' OH ' ' A' ' 71' ' ' TYR . 68.2 mt -80.44 131.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.42 111.177 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.29 154.34 49.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 63.52 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.29 138.2 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.53 111.11 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -102.38 -42.44 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 72.15 110.943 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.562 ' OG1' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m -162.78 108.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.163 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.568 HG13 HG22 ' A' ' 35' ' ' VAL . 11.2 tt -100.43 133.36 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 54.11 111.135 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.57 -151.88 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 72.02 112.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -179.63 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.4 110.931 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -148.09 -41.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.6 86.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.462 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.691 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -71.58 135.5 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 74.35 111.118 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.47 150.65 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.23 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -46.99 82.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.47 -35.4 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.856 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' ALA . 1.6 m-85 -57.83 -51.59 68.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.85 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.72 -32.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 51.41 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.562 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -85.01 -49.72 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 65.02 111.112 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.402 HD11 HD13 ' A' ' 36' ' ' ILE . 54.0 mt -73.26 124.32 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.21 111.147 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.72 172.11 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 51.44 110.849 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -111.85 86.58 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -179.23 -67.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.862 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 m -82.62 154.44 68.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 71.42 111.11 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.8 124.28 10.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 53.33 112.368 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.33 139.14 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.712 ' OH ' HG21 ' A' ' 45' ' ' ILE . 21.0 p90 -130.14 140.81 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.21 110.956 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -124.87 136.42 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.136 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.59 120.03 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 70.03 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.46 130.91 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.25 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 121.34 43.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.874 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -120.95 115.43 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.877 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.886 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.813 0.34 . . . . 74.44 110.868 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.19 142.71 29.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 139.76 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.896 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.636 HD21 HD23 ' A' ' 27' ' ' LEU . 3.8 mp -108.59 134.94 50.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -123.36 149.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.125 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 71' ' ' TYR . 6.2 tp -119.0 119.44 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 55.31 110.966 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.53 127.35 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.122 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 138.54 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 62.1 110.833 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -117.54 113.92 22.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.915 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 176.08 144.26 0.24 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 74.54 110.862 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 98' ' ' GLY . 53.7 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 65.03 112.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.89 -21.47 66.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.19 14.48 24.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.889 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 95' ' ' PRO . . . -61.32 -103.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 64.21 112.514 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.73 160.34 42.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 62.34 111.125 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.77 -39.48 6.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 44.15 112.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.77 -37.07 81.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.03 110.831 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.582 HG23 ' N ' ' A' ' 69' ' ' PRO . 99.0 m -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 63.53 111.099 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -41.0 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.919 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.1 mtt -69.2 -47.55 64.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.866 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.08 -31.9 61.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.13 -33.97 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.925 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -91.95 -40.09 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 50.55 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -42.54 99.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.11 110.837 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.785 ' HB2' HG21 ' A' ' 14' ' ' VAL . 27.4 t -79.98 -25.7 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 61.22 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -56.04 -39.28 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.921 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.85 95.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 54.13 110.844 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -24.25 43.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 70.35 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.68 -22.78 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 52.5 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.29 -55.34 38.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 42.41 111.141 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.74 -34.96 13.6 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 65.31 112.372 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -66.45 -39.43 88.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.944 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.628 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.4 p -130.37 63.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.155 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.38 135.41 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.9 2.28 23.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.19 158.11 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 74.33 110.887 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -100.35 121.57 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.917 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.57 120.43 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 63.02 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.451 HD13 ' HD3' ' A' ' 139' ' ' LYS . 3.5 mp -131.49 120.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.21 111.158 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -84.79 136.63 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.84 128.07 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.079 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -97.59 161.86 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.04 -163.83 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 62.1 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.79 -26.21 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 33.34 111.067 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -20.34 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 63.32 110.856 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.684 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -86.68 9.09 72.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 71.12 112.5 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 130' ' ' GLY . 31.8 mt -137.54 18.44 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 64.31 110.871 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.08 96.09 5.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.883 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -54.24 -40.14 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.52 -32.94 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.922 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -40.63 80.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.407 ' O ' HG12 ' A' ' 140' ' ' VAL . 67.2 mt -67.56 -47.16 81.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -37.94 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.876 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.42 -38.1 77.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 74.05 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HD3' HD13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -66.25 -48.55 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.895 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.107 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -35.2 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.9 m -80.22 -33.26 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.13 110.846 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 52.15 30.49 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.2 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 75.23 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.99 139.52 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.841 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 1.051 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -73.23 126.09 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.23 111.097 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -84.26 160.75 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.32 111.131 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -28.45 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.12 110.833 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 9.9 pt-20 -57.38 -44.84 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.901 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.23 -42.96 96.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 64.43 110.889 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 116' ' ' LEU . 21.8 t -58.59 -48.37 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.129 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.3 m -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.11 111.085 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 55.14 111.107 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.72 -39.92 84.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 55.24 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -45.9 86.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -71.53 -38.05 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD11 ' C ' ' A' ' 33' ' ' ARG . 12.8 tp -57.41 -44.4 84.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.911 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -63.71 -24.08 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.837 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.22 19.05 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 54.42 110.887 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.1 46.62 6.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.64 -43.57 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.907 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.92 -76.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.543 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER 179.86 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 61.51 110.872 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 28.6 p90 -145.33 155.38 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 50' ' ' ILE . 21.6 t -136.73 127.53 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 44.24 111.108 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.721 HD11 ' CE2' ' A' ' 60' ' ' PHE . 44.3 mt -105.51 122.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.089 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -110.27 147.07 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.32 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 68' ' ' VAL . 25.9 t60 -128.37 148.28 50.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.806 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.687 HD12 ' HG2' ' A' ' 69' ' ' PRO . 20.6 mt -85.21 119.89 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.168 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.78 132.84 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.136 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.29 24.5 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 51.13 110.83 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.642 ' HB2' HD21 ' A' ' 105' ' ' LEU . 9.6 pt20 39.43 40.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.968 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -149.23 -40.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.3 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.51 126.8 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.833 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 66.0 mt -84.21 131.09 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 61.32 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 154.2 47.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.3 111.105 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.21 136.41 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 72.22 111.113 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -47.19 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.947 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' HB1' ' A' ' 63' ' ' ALA . 96.0 m -161.37 109.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.13 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.604 HG13 HG22 ' A' ' 35' ' ' VAL . 19.4 tt -96.7 147.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 111.147 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.88 -178.79 30.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 51.24 112.467 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.93 122.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 62.23 110.933 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 33.62 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 72.15 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.96 74.34 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.568 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.13 163.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 75.14 111.058 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.26 150.73 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -41.76 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.868 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.72 -36.97 85.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.818 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -46.47 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HD11 ' A' ' 36' ' ' ILE . 28.8 t80 -59.35 -48.46 81.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.0 mm -67.33 -41.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 72.1 111.13 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.94 -38.7 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.04 110.871 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HB1' ' OG1' ' A' ' 49' ' ' THR . . . -72.94 -55.47 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.33 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 61' ' ' ILE . 11.9 tt -66.87 142.18 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.129 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.13 169.41 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 62.4 110.852 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -115.85 82.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.41 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 38' ' ' HIS . 12.7 m -80.02 153.12 74.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.45 111.098 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.687 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.73 100.72 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 75.12 112.356 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -113.23 140.79 47.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.93 129.61 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.905 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.28 116.92 29.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.4 111.154 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.489 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -105.48 110.41 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.109 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -111.39 130.35 55.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.883 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.7 122.23 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.45 110.864 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.17 111.31 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.888 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.852 0.358 . . . . 73.3 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -134.69 134.56 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.918 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.591 ' HG2' HG23 ' A' ' 140' ' ' VAL . 2.1 ttmt -137.33 129.15 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 64.44 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -99.84 132.03 45.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 70.14 110.939 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.96 148.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.12 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.36 118.9 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 44.12 110.95 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.24 130.52 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.092 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -101.35 128.21 47.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 54.21 110.861 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.648 ' CZ2' HD11 ' A' ' 131' ' ' LEU . 2.0 t90 -113.92 114.2 25.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.908 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.05 153.35 0.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 74.24 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.74 21.91 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.246 . . . . 62.45 112.344 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.08 -40.6 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.14 13.9 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.82 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.73 -90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 54.14 112.482 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -129.01 159.95 66.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 72.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.551 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.8 Cg_endo -69.73 -47.02 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 72.22 112.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -67.91 -39.43 83.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.562 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 31.9 p -66.11 -38.88 89.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 53.14 111.118 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -68.1 -48.25 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.9 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.24 67.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.882 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 42' ' ' GLN . 6.7 mt -54.98 -29.87 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.82 -47.51 71.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -45.14 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.849 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.7 m -56.19 -25.28 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.3 110.883 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -22.55 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.852 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -56.21 -39.35 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.02 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -43.65 92.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -22.9 44.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.43 111.098 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.691 HD23 HD23 ' A' ' 116' ' ' LEU . 7.6 mt -83.57 -19.47 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 62.24 110.916 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -58.9 -55.43 46.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.23 111.107 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.48 12.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 44.35 112.36 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.051 HD22 HG21 ' A' ' 16' ' ' VAL . 20.9 tp -67.84 -47.72 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 53.53 110.906 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 28.8 p -101.78 50.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 122.59 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 106.47 -42.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 71.13 112.476 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.56 158.12 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 74.45 110.899 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -104.23 140.35 37.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.921 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.01 112.01 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 52.22 112.432 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.477 HG21 ' CE ' ' A' ' 139' ' ' LYS . 7.0 pt -114.92 134.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 65.43 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.99 121.72 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.924 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.503 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.29 133.38 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.25 111.129 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.7 155.83 16.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 61.13 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.06 -163.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.1 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.15 111.061 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -23.02 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.52 110.892 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.505 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -109.78 25.4 17.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 32.22 112.469 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.648 HD11 ' CZ2' ' A' ' 93' ' ' TRP . 21.8 mt -144.08 23.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 74.41 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.03 105.84 18.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 73.15 110.885 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -52.1 -45.53 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.892 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.69 -32.14 67.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -41.04 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.901 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.52 -47.14 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 53.4 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -62.03 -40.56 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.83 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.84 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LYS . . . . . 0.477 ' CE ' HG21 ' A' ' 123' ' ' ILE . 4.9 tppt? -64.42 -48.67 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.887 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.591 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.1 p -68.03 -37.81 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.136 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -65.0 -34.19 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.874 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -83.86 -30.9 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 40.98 40.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.01 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 62.45 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.23 -59.5 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 53.13 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.6 mtm 57.41 90.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 63.3 110.918 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -128.33 -47.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 65.44 110.853 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.75 -32.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.487 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -51.25 120.67 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 73.15 111.11 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.46 147.17 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.838 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.8 p -73.32 122.92 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 62.42 111.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 160.75 31.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 52.22 111.102 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -56.62 -39.65 74.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.26 -41.48 79.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.9 -45.09 83.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.51 110.87 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.892 HG22 HD11 ' A' ' 116' ' ' LEU . 46.4 t -59.59 -39.86 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.104 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -70.48 -40.98 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.145 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.19 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 53.14 111.054 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.4 pp -69.18 -38.58 78.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.918 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.9 t30 -57.62 -46.99 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.6 -38.01 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 35' ' ' VAL . 2.5 tp -57.9 -36.07 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -62.74 -24.73 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.859 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 18.4 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.88 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 46.81 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.896 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.29 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 64.41 110.933 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.78 -77.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -174.45 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.802 ' HA ' HD21 ' A' ' 27' ' ' LEU . 35.8 p90 -144.37 154.86 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.95 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.857 HG12 HD22 ' A' ' 27' ' ' LEU . 10.0 p -131.01 129.76 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 63.23 111.084 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.8 HG21 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -114.59 123.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.158 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.83 156.1 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.844 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -132.15 166.81 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.22 110.872 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 69' ' ' PRO . 21.7 mt -85.72 128.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 73.31 111.11 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG21 ' HB3' ' A' ' 46' ' ' ALA . 23.6 t -112.4 128.11 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.14 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.04 16.46 8.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.34 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.53 ' CG ' HD11 ' A' ' 105' ' ' LEU . 38.4 mt-30 48.84 31.99 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.895 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.13 -41.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.92 126.9 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.849 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.489 HD11 ' OG ' ' A' ' 109' ' ' SER . 60.9 mt -82.88 131.6 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 75.01 111.13 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.98 156.85 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 52.1 111.072 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.27 138.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 65.24 111.131 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -105.4 -43.7 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.921 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 m -161.91 122.42 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 tt -98.65 146.9 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.146 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.19 -148.2 17.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 64.44 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.53 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 72.13 110.838 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -173.8 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.78 70.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 45.42 112.499 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.15 158.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 44.35 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.4 151.1 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 60.04 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.62 -33.9 76.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.68 -47.36 72.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.848 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.75 -36.74 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.907 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.99 -49.49 75.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.5 mm -71.58 -38.94 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 60.34 111.139 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.26 -40.55 86.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 62.04 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -53.23 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 51.22 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 HG21 ' A' ' 36' ' ' ILE . 41.9 mm -66.22 143.72 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.31 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.19 111.1 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 61.34 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -66.85 89.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 41.24 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.19 -72.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.3 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.18 154.39 95.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.693 . . . . 70.44 111.192 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.659 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.79 116.04 4.38 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.676 2.251 . . . . 72.03 112.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.9 m -132.58 155.85 47.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.873 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 90' ' ' LEU . 15.7 m-85 -128.95 130.3 46.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.91 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.27 123.74 40.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 61.14 111.069 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . . . -107.14 131.61 53.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 61.25 111.103 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -124.13 127.38 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.82 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -97.35 124.11 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 62.04 110.819 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -135.74 132.98 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -87.91 147.38 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 51.43 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.03 176.09 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.924 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -119.88 50.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 75.14 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 81' ' ' ASN . 9.9 t -77.26 -40.82 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 53.2 111.16 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 80' ' ' THR . 8.1 t30 -78.82 -35.75 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 62.01 110.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 176.61 -42.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 64.51 110.845 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.27 -79.15 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 73.25 112.479 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 73.01 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.256 . . . . 71.45 112.371 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.26 149.28 42.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.925 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -132.02 134.65 45.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 62.52 110.889 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 129.61 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.909 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -108.6 137.81 45.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 62.44 110.937 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.1 mp -114.98 148.9 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.123 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -122.93 119.84 31.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.959 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.441 HG21 ' O ' ' A' ' 130' ' ' GLY . 5.6 mt -113.54 122.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t -101.16 138.51 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 41.34 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.601 ' HH2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -99.84 123.53 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.895 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -173.49 85.12 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 55.31 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.648 2.232 . . . . 73.42 112.353 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.11 -24.44 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -99.09 13.47 32.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.874 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.27 -111.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 74.22 112.475 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -126.82 159.94 61.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 63.21 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.74 -47.87 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.4 112.322 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -64.21 -35.59 81.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.844 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.777 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.6 p -63.94 -45.48 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 50.11 111.18 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -36.09 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.907 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.34 -46.82 59.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.897 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.53 HD11 ' CG ' ' A' ' 42' ' ' GLN . 3.1 mt -55.11 -30.05 58.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 64.23 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.17 -42.99 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -35.35 62.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.856 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 t -67.39 -25.94 66.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 65.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -99.99 -25.24 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.31 110.867 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -39.33 76.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.12 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -42.74 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.871 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.09 -23.03 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 mt -83.63 -22.06 32.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 54.41 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.84 -55.34 42.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 62.03 111.124 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.269 . . . . 74.33 112.329 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 21' ' ' VAL . 1.6 mm? -66.38 -47.74 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.898 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.5 p -96.21 62.54 2.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.153 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.12 122.6 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 18.66 41.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 74.42 112.468 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -129.34 131.2 46.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 73.33 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -68.23 104.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.93 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -97.29 117.43 5.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 72.11 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.42 138.58 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.11 111.107 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.85 116.85 30.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.591 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.15 128.48 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 52.21 111.132 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.98 160.05 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.54 -164.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.54 -26.48 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 61.33 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -24.63 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 51.43 110.859 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -93.87 -23.17 23.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.442 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD11 ' HH2' ' A' ' 93' ' ' TRP . 7.4 mt -105.97 24.61 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.11 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.99 97.2 4.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.876 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -51.8 -38.64 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.905 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.54 -36.9 81.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 61.4 110.843 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -37.53 80.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 140' ' ' VAL . 79.0 mt -68.27 -46.98 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 63.24 111.145 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.77 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.64 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.847 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -67.68 -48.7 65.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.858 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.44 111.12 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -65.49 -33.74 76.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 73.05 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 t -84.35 -34.0 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.818 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.87 55.58 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.911 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.86 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.79 0.329 . . . . 63.22 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.76 -65.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.087 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mmt -53.49 146.21 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 70.35 110.904 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.77 -60.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.839 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.42 -32.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 64.45 112.495 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' VAL . 5.1 p -50.86 120.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 64.52 111.103 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.66 152.73 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.687 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.35 122.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 51.24 111.096 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 160.72 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.118 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -55.26 -35.26 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.48 -45.08 85.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.72 -44.05 94.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.858 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 116' ' ' LEU . 21.8 t -58.7 -44.3 89.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.54 111.094 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -66.27 -43.42 86.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.54 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.16 -39.64 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.42 110.945 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -58.15 -45.91 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 60.11 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -37.13 70.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.05 110.806 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.019 HD23 HD21 ' A' ' 88' ' ' LEU . 6.7 tp -58.62 -42.9 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.944 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' CB ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.37 -23.85 67.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.908 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.24 20.62 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 mttt 62.53 46.62 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.854 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -57.62 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.34 -76.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -76.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 72.04 110.889 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD11 ' A' ' 27' ' ' LEU . 47.8 p90 -145.53 155.3 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.949 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.611 HG13 HD13 ' A' ' 27' ' ' LEU . 27.2 m -131.94 128.83 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.108 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 72' ' ' ALA . 11.3 mt -108.05 135.27 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 52.22 111.118 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.31 156.11 49.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.877 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -131.71 168.03 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.896 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.68 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.7 mt -85.74 124.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.118 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 46' ' ' ALA . 43.5 t -107.99 130.46 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 53.13 111.142 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.23 16.12 8.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 48.55 31.77 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.04 110.865 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -143.25 -41.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.98 126.74 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.856 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -81.19 131.62 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 50.11 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.765 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.88 160.35 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.11 111.094 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.41 138.23 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 64.23 111.111 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -108.27 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -162.99 121.89 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.51 111.132 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.557 HD12 ' HG2' ' A' ' 52' ' ' GLU . 21.7 pt -98.38 147.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.122 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -67.13 -58.76 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 63.23 112.546 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG2' HD12 ' A' ' 50' ' ' ILE . 17.0 mt-10 64.61 84.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 72.43 110.903 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.22 18.74 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.863 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.25 76.1 1.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 51.23 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' A' ' 59' ' ' GLN . . . -49.0 166.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 62.52 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.94 156.11 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -32.49 73.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -68.01 -47.4 68.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.05 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' CD ' ' HB1' ' A' ' 55' ' ' ALA . 13.5 pt20 -74.51 -34.98 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.919 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 64' ' ' ILE . 7.1 t80 -64.39 -48.54 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.2 mm -71.38 -43.23 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 64.34 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.17 -38.15 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.41 110.91 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -55.14 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.15 111.116 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 60' ' ' PHE . 4.1 tt -67.24 143.46 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.45 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -145.91 99.74 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.867 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 103.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -179.6 -71.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.87 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG23 ' SG ' ' A' ' 70' ' ' CYS . 17.1 m -78.09 154.19 79.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 65.14 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 109.18 2.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 73.32 112.356 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.513 ' SG ' HG23 ' A' ' 68' ' ' VAL . 34.8 m -126.61 157.94 37.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 90' ' ' LEU . 12.7 m-85 -129.19 129.85 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.936 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -123.83 129.46 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.558 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.7 130.12 54.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 72.51 111.11 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 88' ' ' LEU . 38.4 t80 -122.0 127.22 50.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.888 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.41 123.4 41.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -122.17 166.89 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 61.02 110.871 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -111.45 145.65 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -153.29 166.87 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.924 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 t -115.54 55.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.9 m -77.54 -49.32 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.32 111.103 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.6 -35.97 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.24 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.879 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.45 -76.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 43.44 112.524 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 73.93 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 72.32 112.359 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.11 149.44 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.94 134.66 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.04 129.88 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.019 HD21 HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -100.45 133.9 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.03 110.878 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.541 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.84 148.68 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.117 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -120.61 119.69 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.32 110.887 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.09 122.25 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.136 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 p -101.37 137.65 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.858 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.415 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.5 m0 -99.82 115.39 29.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.95 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.95 88.72 1.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 71.13 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.42 23.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 73.32 112.361 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -22.67 52.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.85 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -101.82 13.65 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.858 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.49 -110.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 53.1 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -132.48 159.99 70.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 62.1 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.0 Cg_endo -69.73 -40.98 4.72 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 64.22 112.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -68.11 -32.6 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.02 110.869 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 99' ' ' ALA . 25.9 p -68.53 -46.23 70.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.147 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.4 -38.22 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.917 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -48.0 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.846 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.08 -31.01 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 65.52 110.958 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -59.13 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.929 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -33.07 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 33.31 110.838 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 t -67.27 -25.41 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.882 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -101.5 -22.65 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -39.37 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -41.93 97.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.861 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.12 -23.02 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 54.44 111.13 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.4 -25.42 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.24 -55.45 31.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 44.22 111.11 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.72 -32.18 19.25 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.69 2.26 . . . . 55.41 112.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.687 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -66.45 -47.99 71.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.938 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.1 p -103.12 63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.4 111.13 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.43 122.63 29.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.875 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.91 18.43 17.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 32.41 112.488 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -130.51 148.83 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.32 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 128.01 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.746 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -100.24 117.61 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 40.22 112.453 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 122' ' ' GLY . 6.9 mm -128.44 120.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 64.52 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.14 115.76 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.871 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.643 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -149.03 136.1 19.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.094 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -102.06 155.08 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 42.34 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.82 -162.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 64.53 110.868 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -25.97 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.53 111.096 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -21.39 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.01 110.855 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.643 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -98.15 17.47 58.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.48 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 130' ' ' GLY . 17.8 mt -141.4 25.58 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 73.14 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -77.72 115.72 17.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.905 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.67 -49.22 78.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -33.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.8 -40.32 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.888 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.453 HG23 HG13 ' A' ' 89' ' ' ILE . 49.0 mm -68.24 -47.08 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.11 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 m -62.58 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -69.56 -36.73 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -48.38 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.843 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.79 -37.83 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.118 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -65.86 -31.56 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 m -80.75 -40.51 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.872 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.1 t30 61.02 40.65 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 65.41 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.879 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.787 0.327 . . . . 73.41 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.26 34.23 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 61.34 111.106 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -171.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 54.32 110.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.43 106.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 74.01 110.818 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.19 26.8 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 75.32 112.483 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 109' ' ' SER . 9.4 p -51.66 136.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 71.33 111.157 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.88 137.93 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 51.33 110.854 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.3 p -73.32 122.18 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 73.3 111.085 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.26 158.21 27.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.48 -32.38 49.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 62.21 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.904 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.58 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.21 110.868 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 HD11 ' A' ' 116' ' ' LEU . 22.0 t -58.7 -51.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.117 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -63.48 -41.03 98.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.126 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.06 -45.15 87.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.087 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.07 -40.41 78.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -57.81 -45.97 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 -40.06 70.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.829 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD13 HG23 ' A' ' 35' ' ' VAL . 48.5 tp -55.4 -44.19 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.744 ' HB3' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.58 -24.66 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 53.23 110.885 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.41 20.46 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.37 46.68 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -66.79 -59.11 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.843 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -78.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 51.14 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 178.72 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 70.45 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' OH ' ' HB1' ' A' ' 72' ' ' ALA . 2.1 t80 -138.67 138.47 37.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.03 110.89 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 HD13 ' A' ' 27' ' ' LEU . 64.1 t -130.65 115.29 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 35.23 111.138 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.9 HD13 HD11 ' A' ' 64' ' ' ILE . 86.1 mt -110.98 137.07 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 156.33 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.04 110.881 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -135.5 161.5 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.783 HD12 ' HG2' ' A' ' 69' ' ' PRO . 56.9 mt -85.84 127.68 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.151 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 46' ' ' ALA . 21.6 t -111.05 135.3 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.08 23.89 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.828 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HB2' HD11 ' A' ' 105' ' ' LEU . 16.9 pt20 39.23 41.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 43.11 110.919 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -152.58 -40.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 52.13 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.25 126.92 46.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 52.13 110.859 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.23 131.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 71.43 111.152 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -131.39 160.05 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 63.03 111.112 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.71 137.04 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 74.22 111.086 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.1 -48.83 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -161.28 109.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.3 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -98.57 133.98 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.12 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.01 -178.15 31.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 62.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -179.34 70.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 74.11 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 51.77 73.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 63.51 110.867 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.63 -27.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 63.35 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.29 112.9 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 71.14 111.088 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.66 161.44 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.863 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -69.46 -36.96 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -46.77 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.85 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.01 83.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.03 -45.77 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -70.14 -40.66 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -40.56 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.46 -54.32 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.066 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.9 HD11 HD13 ' A' ' 36' ' ' ILE . 61.9 mt -66.91 146.1 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.119 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.1 110.45 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.89 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 101.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 179.52 -74.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 70.23 110.865 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.81 151.94 61.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 63.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.783 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.2 Cg_endo -69.78 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 44.44 112.33 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.1 p -107.56 156.3 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.903 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 13.5 m-85 -121.66 132.67 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.942 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB1' ' OH ' ' A' ' 34' ' ' TYR . . . -119.24 118.02 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 75.33 111.072 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.14 130.59 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -117.29 126.71 53.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.28 116.71 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -128.67 175.33 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.887 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.65 147.29 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 65.12 110.908 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.05 171.68 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.941 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -121.3 51.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 75.03 111.127 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.6 t -77.43 -40.92 41.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 62.23 111.121 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.72 -35.87 44.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.46 -41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 61.2 110.869 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.65 -79.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 72.25 112.527 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 72.26 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 65.13 112.346 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -119.74 149.3 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 134.69 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.84 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -129.04 126.46 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.907 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -107.48 135.65 48.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 88' ' ' LEU . 4.0 mm -114.87 148.26 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.102 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.7 OUTLIER -130.21 119.29 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.54 110.93 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.48 125.04 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.34 111.108 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.1 138.35 38.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 62.22 110.837 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.486 ' HZ2' HD21 ' A' ' 131' ' ' LEU . 3.5 m0 -106.06 115.62 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -161.05 87.35 1.69 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.663 0.744 . . . . 61.32 110.911 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 132.77 24.13 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.265 . . . . 73.31 112.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -23.27 51.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.879 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 m -101.16 13.57 34.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.887 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -134.96 159.57 71.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 41.14 111.08 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 75.15 112.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -69.05 -33.03 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.918 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 99' ' ' ALA . 20.4 p -73.84 -47.23 39.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 63.43 111.141 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -34.93 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 70.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -71.39 -47.99 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.891 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 42' ' ' GLN . 20.6 mt -62.76 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.54 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.22 -41.66 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 64.25 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 t -74.12 -41.51 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 54.43 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.62 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 64.33 110.819 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.692 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.9 t -96.9 -24.79 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.876 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -61.64 -40.48 95.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 65.53 110.905 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -42.83 97.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.805 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.96 -22.84 45.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 71' ' ' TYR . 1.4 mt -83.0 -24.26 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.01 110.89 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.91 -55.44 35.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 62.15 111.162 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.82 -33.17 16.91 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.677 2.252 . . . . 62.24 112.346 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -48.02 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.91 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 90' ' ' LEU . 43.8 p -111.08 59.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 63.41 111.073 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -85.32 122.45 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.29 -42.66 1.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 65.21 112.463 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.1 151.12 44.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 72.35 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.71 105.41 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.35 110.913 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.07 113.8 4.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 71.22 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 139' ' ' LYS . 2.9 mp -131.5 136.37 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 74.1 111.093 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -107.57 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.86 133.87 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.084 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -97.97 157.22 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.88 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.84 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.19 12.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 62.52 111.07 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.04 110.892 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.78 18.78 39.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.725 . . . . 75.21 112.526 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 130' ' ' GLY . 36.3 mt -140.06 25.96 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.326 . . . . 64.12 110.936 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.85 108.38 14.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 61.52 110.875 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -51.81 -45.76 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.45 -31.86 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 70.1 110.889 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.65 -42.46 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.43 110.877 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.9 -47.26 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -40.85 95.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.02 110.84 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.56 -36.56 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 70.02 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.612 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -63.87 -48.69 75.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 54.12 110.912 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 87' ' ' LYS . 7.4 p -67.8 -37.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 53.15 111.155 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -35.7 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.14 110.877 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.6 t -80.63 -29.67 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.845 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.31 26.61 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.842 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.853 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 75.43 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -65.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 52.11 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -83.83 151.57 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 64.55 110.858 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 54.4 110.839 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' VAL . . . 178.74 -48.36 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 75.45 112.501 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 109' ' ' SER . 2.4 p 35.55 82.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 72.34 111.108 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.3 143.28 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 45' ' ' ILE . 25.7 m -79.82 124.64 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 73.23 111.133 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.72 154.71 40.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 51.24 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.52 -36.98 62.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 74.1 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.34 -36.98 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 62.01 110.933 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 35.3 t -68.44 -45.27 73.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.821 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.821 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.48 -47.61 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 72.45 111.128 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -65.11 -42.38 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.106 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.15 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 32.34 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' CG2' ' A' ' 117' ' ' THR . 7.5 mt -68.76 -40.3 79.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.44 110.894 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.98 -45.98 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.83 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.68 -38.9 70.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 64.52 110.838 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.976 HD22 HG22 ' A' ' 35' ' ' VAL . 13.6 tp -56.48 -44.34 80.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 73.54 110.944 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.657 ' CA ' HD12 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -63.52 -24.3 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.86 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 20.16 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 62.04 46.64 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -73.2 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.905 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -75.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.844 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.675 ' C ' HD11 ' A' ' 27' ' ' LEU . 12.5 ttm180 -179.01 -70.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.85 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . 17.8 p90 -140.12 150.64 44.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.921 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.976 HG22 HD22 ' A' ' 27' ' ' LEU . 27.8 m -133.1 123.45 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 72.43 111.144 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -110.07 132.25 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.01 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.7 mtm -135.34 155.75 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.88 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -130.8 165.37 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 62.23 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.71 HD13 HD22 ' A' ' 105' ' ' LEU . 21.5 mt -85.9 125.19 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.13 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' ALA . 92.3 t -109.5 128.61 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.12 15.64 8.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.817 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.04 31.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 62.01 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -144.74 -41.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.13 126.99 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.43 110.819 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 61.7 mt -81.7 131.41 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 52.45 111.148 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -127.61 156.64 41.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.064 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.29 138.38 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -46.42 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.23 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -161.42 111.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 74.02 111.09 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.766 HG13 HG12 ' A' ' 35' ' ' VAL . 19.1 tt -97.17 142.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.153 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.17 -179.22 28.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 73.32 112.552 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.88 49.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 74.14 110.867 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 59.61 20.26 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.45 5.58 3.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 71.21 112.501 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.92 130.26 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.4 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.71 175.28 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -69.41 -39.24 78.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -46.95 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 72.23 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.45 -39.79 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.634 ' HE2' HD22 ' A' ' 131' ' ' LEU . 8.7 t80 -59.65 -50.92 72.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.81 -41.98 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.12 84.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.862 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.04 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.081 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.551 HD12 ' CZ3' ' A' ' 93' ' ' TRP . 1.0 OUTLIER -71.02 125.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 74.3 111.102 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -118.47 129.61 55.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 52.05 110.85 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.89 91.96 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 179.93 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.35 110.83 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.63 154.54 71.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 74.34 111.15 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.613 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 130.4 19.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.729 2.286 . . . . 73.24 112.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -140.77 142.44 34.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 51.45 110.913 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -117.75 130.15 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.932 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.74 122.8 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -106.15 136.9 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.115 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 88' ' ' LEU . 14.2 t80 -131.11 130.41 43.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -94.02 133.36 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -139.76 132.46 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.888 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -87.86 140.03 29.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.24 176.15 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.906 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 t -105.56 62.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 62.44 111.129 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.6 m -77.68 -49.96 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 62.24 111.12 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -77.8 -35.62 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.23 -32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.872 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -178.23 -79.03 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 63.31 112.443 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 72.73 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 71.21 112.36 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -132.33 149.24 52.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 62.3 110.854 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -134.66 135.17 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.533 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -132.7 141.79 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.895 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -108.56 137.68 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 60.45 110.936 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.0 149.01 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 tp -117.18 119.55 35.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.52 110.907 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.25 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.162 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.07 127.63 47.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.828 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -112.59 114.52 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.03 110.893 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 p30 177.38 156.31 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 71.41 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.36 19.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 75.3 112.364 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.97 -41.06 91.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.84 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 14.27 24.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 23.24 110.882 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.21 -95.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 73.15 112.532 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -112.23 159.47 33.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 71.13 111.124 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.78 -39.97 5.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 70.32 112.333 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.04 -43.2 83.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.505 HG23 ' CD ' ' A' ' 69' ' ' PRO . 91.3 m -67.3 -37.83 84.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.53 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -67.77 -46.32 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -41.84 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 61.44 110.934 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 39' ' ' ILE . 13.1 mt -55.07 -29.86 58.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.882 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -59.04 -34.13 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 62.4 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -97.72 -29.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 61.24 110.843 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -26.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 65.53 110.836 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.665 ' HB2' HG21 ' A' ' 14' ' ' VAL . 8.4 t -99.07 -33.31 10.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.31 110.81 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -56.31 -39.38 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.01 -40.43 95.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 52.42 110.877 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.28 -23.96 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -25.83 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.36 -55.35 29.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 71.34 111.105 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.72 -33.05 17.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 52.41 112.353 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.5 -41.92 88.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.885 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 24' ' ' LEU . 71.5 p -130.8 70.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.31 111.105 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.26 122.43 28.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 132.47 -44.88 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 63.1 112.501 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.24 158.26 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.33 110.833 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.29 144.68 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.737 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -112.49 126.87 7.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 75.44 112.524 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 122' ' ' GLY . 11.2 mm -128.3 120.27 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.25 111.12 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.56 116.67 33.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 63.33 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.646 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.82 132.8 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 40.11 111.077 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.93 155.56 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.84 -163.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.883 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.09 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.24 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -22.61 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -102.92 19.86 45.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.479 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 130' ' ' GLY . 25.0 mt -133.09 24.5 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 72.23 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.28 105.71 16.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.35 110.885 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -59.53 -42.96 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.896 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.66 -34.87 69.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 74.33 110.849 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.56 -40.41 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.03 -47.1 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.161 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m -63.39 -38.83 92.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 60.42 110.803 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -37.61 78.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.855 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -66.07 -48.32 71.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.533 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.8 p -67.78 -37.7 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 64.42 111.181 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -69.9 -34.92 74.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.859 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.4 m -69.43 -37.76 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.851 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 53.69 34.05 18.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.932 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 73.21 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.11 -65.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 63.03 111.089 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 37.1 mtm -126.77 160.35 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.44 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t 52.67 61.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 73.24 110.859 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.2 -166.77 10.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 41.14 112.501 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 45' ' ' ILE . 46.5 t 60.54 104.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.14 111.099 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.78 136.54 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.839 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -83.09 132.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 74.55 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.33 149.72 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -35.67 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -58.64 -44.76 90.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.77 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 116' ' ' LEU . 40.7 t -58.59 -50.49 78.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 75.12 111.117 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -63.31 -41.19 98.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.121 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.18 83.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 51.13 111.091 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 ' CG2' ' A' ' 117' ' ' THR . 26.4 mt -67.3 -39.63 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.55 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.88 86.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.71 -37.01 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.874 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -58.73 -43.16 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 52.33 110.929 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -23.81 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 20.11 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 52.2 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.45 46.7 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.892 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.39 -66.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.88 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.52 -75.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.865 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.67 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.657 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 10.0 p90 -144.83 142.28 29.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.955 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 27' ' ' LEU . 7.5 p -129.03 124.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.115 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -109.21 135.74 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.174 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.14 154.61 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.892 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -128.55 168.58 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.797 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' CG ' ' A' ' 69' ' ' PRO . 69.5 mt -96.37 113.33 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.02 144.93 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 62.24 111.141 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 58.48 20.73 7.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 74.3 110.901 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.71 ' HB2' HD21 ' A' ' 105' ' ' LEU . 4.2 pt20 39.02 41.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.912 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -157.2 -38.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -116.06 150.86 36.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 60.53 110.841 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 14' ' ' VAL . 56.9 mt -103.18 130.85 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 72.5 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.1 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.42 111.088 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.19 138.36 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -106.09 -42.27 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -161.2 109.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.8 146.1 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.62 -174.18 24.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.474 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.12 54.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 75.31 110.862 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 61.89 18.16 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.889 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -34.34 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 73.01 112.507 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.41 130.73 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.45 111.141 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.69 172.09 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 62.34 110.848 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.57 -41.1 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.854 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -57.59 -46.85 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.94 -36.0 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 44.43 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -62.82 -50.91 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 70.12 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.09 -41.83 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 111.092 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -60.46 -40.44 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 -53.78 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.12 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.11 124.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.23 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.85 122.74 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.85 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 91.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.945 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.72 -74.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.9 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.02 154.43 84.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 74.43 111.143 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.583 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.7 126.62 13.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.221 . . . . 54.22 112.358 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.6 m -145.54 151.74 38.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 73.22 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.589 ' HB3' HD11 ' A' ' 90' ' ' LEU . 52.2 m-85 -129.1 130.06 46.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.903 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.92 125.83 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.095 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.92 119.89 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.139 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -116.62 127.46 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.02 127.19 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.868 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -135.79 125.31 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.903 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.08 132.62 54.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.855 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -153.48 174.34 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.32 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -131.27 52.92 2.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 64.21 111.144 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -79.12 -29.27 43.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 65.01 111.131 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.64 -37.78 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 65.53 110.894 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.17 -51.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 70.32 110.858 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.72 163.92 13.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 71.21 112.456 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.63 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 70.22 112.317 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.55 149.28 31.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.1 110.853 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -111.29 134.48 52.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 133.64 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -108.46 134.81 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.959 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.85 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 74.25 111.113 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 71' ' ' TYR . 17.7 tp -120.88 119.81 33.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.916 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.45 122.53 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.102 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -114.07 138.83 49.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.833 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -91.36 115.38 27.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 72.51 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -148.08 78.62 9.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 74.24 110.865 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.59 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 71.13 112.303 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -58.21 -22.66 52.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.832 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.93 13.55 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.23 110.826 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -67.93 -106.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 41.22 112.495 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -138.96 160.41 62.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 65.43 111.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.77 -45.67 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.635 2.223 . . . . 64.34 112.334 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HD13 ' A' ' 105' ' ' LEU . 3.2 mmp_? -68.03 -44.51 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.824 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 77.8 p -63.34 -43.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 63.41 111.152 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -57.71 -46.38 84.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.91 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.31 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 42' ' ' GLN . 4.4 mp -55.45 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 65.04 110.897 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.25 -47.36 85.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -37.12 82.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.877 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -67.26 -34.74 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 61.44 110.864 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.514 ' OG ' HG11 ' A' ' 14' ' ' VAL . 42.4 t -84.02 -32.14 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.855 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -60.75 -39.39 88.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.882 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.68 -42.17 98.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.895 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.21 43.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 73.01 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.492 HD12 ' OG ' ' A' ' 109' ' ' SER . 0.3 OUTLIER -83.82 -22.9 31.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.949 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.76 -55.33 39.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 64.15 111.087 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.74 -34.52 14.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 74.41 112.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -44.59 82.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.69 ' CG2' HD13 ' A' ' 24' ' ' LEU . 33.4 p -120.17 65.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.42 111.138 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.22 122.44 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 71.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.86 -46.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 43.11 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.1 149.57 46.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 65.51 110.839 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.22 107.26 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.67 121.88 7.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 31.51 112.515 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 139' ' ' LYS . 3.8 mp -131.37 138.58 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 72.43 111.122 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.73 116.9 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.35 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 132.03 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -97.92 163.18 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.6 -26.25 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.086 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.68 -23.71 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.882 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.65 38.04 3.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.35 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 pp -175.73 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.31 110.892 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.0 117.54 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -52.11 -43.44 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.876 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.02 -34.88 78.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 52.43 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.68 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.43 110.892 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.14 -47.2 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.14 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 64.7 m -62.89 -40.15 96.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 71.05 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -65.99 -36.79 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' A' ' 123' ' ' ILE . 0.9 OUTLIER -68.01 -48.4 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.892 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -37.89 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 72.34 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -71.24 -35.41 71.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 m -75.72 -32.23 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 40.43 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 54.61 27.23 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 65.31 110.892 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.853 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.741 0.305 . . . . 63.05 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.87 31.55 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 63.34 111.086 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.7 ptm -149.58 169.35 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 p -177.16 -56.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 52.52 110.83 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.72 -30.34 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.713 -0.756 . . . . 62.44 112.481 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 108' ' ' SER . 5.2 p -50.94 122.2 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 44.04 111.16 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -143.36 145.21 32.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 63.21 110.878 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 45' ' ' ILE . 26.8 m -73.31 127.87 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.158 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.82 157.59 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 51.44 111.044 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -36.0 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.93 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.97 -33.96 76.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -71.03 -45.24 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 70.51 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.054 HG13 HD11 ' A' ' 116' ' ' LEU . 21.5 t -62.4 -45.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 55.43 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.5 m -65.85 -46.66 77.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 72.15 111.133 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.99 82.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 23.34 111.055 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 117' ' ' THR . 13.7 mt -69.18 -42.79 75.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 75.55 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.21 -45.83 86.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 44.13 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -69.21 -42.4 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.43 110.875 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -58.39 -34.82 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.952 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HA ' HD11 ' A' ' 88' ' ' LEU . 6.9 ttt85 -63.37 -25.31 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.863 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 16.64 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 51.43 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt 61.98 46.67 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -20.97 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 53.42 110.895 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.01 -80.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.866 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 177.39 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.639 ' HA ' HD11 ' A' ' 27' ' ' LEU . 13.2 p90 -145.24 155.29 43.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.932 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.89 HG12 HD13 ' A' ' 27' ' ' LEU . 6.1 p -142.5 120.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 53.21 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.627 HD11 ' CE2' ' A' ' 60' ' ' PHE . 17.8 mt -102.18 132.33 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.141 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.63 154.23 48.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.88 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -133.94 162.62 31.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 69' ' ' PRO . 22.6 mt -85.88 122.21 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 65.31 111.089 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -105.08 129.26 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.51 111.121 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.92 15.72 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.859 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.573 ' HG2' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER 48.75 32.13 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.25 110.895 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -41.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.928 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.74 126.91 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 89.6 mt -80.81 131.43 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.136 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.76 158.87 38.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.41 111.149 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.82 138.39 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.066 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.89 -49.57 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.5 m -161.46 104.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.05 111.167 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 tt -96.91 147.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.11 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.28 -175.26 25.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 30.12 112.472 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.53 66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 71.43 110.881 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 51.54 80.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.892 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.84 -18.88 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.481 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB3' ' HE2' ' A' ' 34' ' ' TYR . . . -68.12 120.67 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 62.32 111.089 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.63 174.89 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -68.54 -37.05 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.03 -46.85 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.88 -41.46 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.627 ' CE2' HD11 ' A' ' 36' ' ' ILE . 3.1 t80 -60.41 -51.62 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.47 -45.42 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 71.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.49 -40.14 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 51.43 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.6 pt -66.28 142.71 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.91 125.89 40.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 64.55 110.866 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.35 76.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.429 ' OD1' HG13 ' A' ' 68' ' ' VAL . 12.2 t-20 -179.36 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.899 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG13 ' OD1' ' A' ' 67' ' ' ASN . 16.3 m -79.62 154.64 76.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 43.43 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.667 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.78 119.51 6.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 51.33 112.32 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 t -132.91 140.67 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 61.54 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.1 130.08 46.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.967 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.27 129.35 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.22 111.108 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.72 114.05 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 64.55 110.844 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -84.6 130.82 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 64.33 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.45 170.17 16.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.88 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -119.54 147.35 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 171.36 17.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.922 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -108.06 62.88 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 74.1 111.137 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -77.79 -49.86 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.14 111.15 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -77.79 -35.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.901 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.23 -77.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 71.05 112.494 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 74.14 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 61.4 112.327 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.85 157.94 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.866 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.86 134.58 54.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.857 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.59 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.888 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 27' ' ' LEU . 5.8 mp -105.3 136.34 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.893 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.588 HD13 ' CG2' ' A' ' 136' ' ' ILE . 13.6 mt -115.0 148.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.23 121.18 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.921 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.3 129.86 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.099 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.21 128.98 47.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.59 ' HH2' HD23 ' A' ' 131' ' ' LEU . 25.5 m95 -110.56 114.76 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.943 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.681 ' OD1' HG21 ' A' ' 102' ' ' THR . 1.5 t30 177.55 140.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 75.4 110.938 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.62 23.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.25 . . . . 65.12 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.34 -21.85 60.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.877 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.2 13.71 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.904 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.89 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 43.11 112.452 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -136.09 159.92 69.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 70.34 111.097 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.74 -38.38 7.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 72.2 112.366 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -66.84 -34.24 77.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.681 HG21 ' OD1' ' A' ' 94' ' ' ASN . 98.3 m -68.18 -45.97 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.178 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -38.84 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -48.12 52.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.855 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' HG2' ' A' ' 42' ' ' GLN . 32.8 mt -61.89 -34.42 76.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.16 -48.74 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.923 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -63.27 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB3' HG11 ' A' ' 14' ' ' VAL . 37.3 t -67.2 -42.49 84.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 50.51 110.845 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.0 p -71.5 -45.1 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 61.04 110.841 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.16 -39.47 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -40.53 89.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.857 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.17 -23.11 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.037 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -83.26 -26.08 31.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.92 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.62 -55.32 30.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 74.01 111.162 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.76 -31.75 19.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 72.14 112.335 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.054 HD11 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -48.04 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.926 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 24' ' ' LEU . 36.5 p -103.27 56.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 53.12 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.57 122.57 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 72.3 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.26 42.72 6.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.86 154.85 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 73.44 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -104.32 98.44 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.899 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.26 111.97 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 44.2 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.68 138.36 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 52.15 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.76 116.9 32.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.12 110.881 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.588 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.88 126.87 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.128 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -97.85 159.88 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.926 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.04 -164.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.858 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.76 -26.11 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.126 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -21.16 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 70.43 110.903 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -88.38 -13.22 63.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 23.21 112.467 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.59 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.5 mt -102.95 24.33 10.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 74.03 110.919 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 95.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.815 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -60.24 -38.25 82.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.61 -41.23 92.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 62.44 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.95 -41.14 87.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 71.41 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.588 ' CG2' HD13 ' A' ' 89' ' ' ILE . 31.2 mt -64.75 -47.36 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.097 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 p -63.29 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.901 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 73.15 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -67.75 -48.48 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 89' ' ' ILE . 28.7 m -67.89 -37.85 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.106 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.12 -33.32 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -86.95 -31.21 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.863 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 63.26 30.41 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.826 0.346 . . . . 72.31 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.72 164.29 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.09 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -143.35 157.6 44.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.5 -55.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.855 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.44 -54.03 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.509 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.6 t 59.99 102.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 61.35 111.11 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 137.15 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.25 127.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 63.14 111.139 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 151.21 47.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.125 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -53.44 -36.97 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.854 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.54 -43.08 84.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 63.3 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.15 -41.64 90.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.846 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 HD21 ' A' ' 116' ' ' LEU . 33.6 t -59.31 -52.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.117 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.145 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.3 87.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 55.24 111.078 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD13 ' CG2' ' A' ' 117' ' ' THR . 61.5 mt -68.62 -40.45 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.88 -46.19 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.84 -37.46 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 54.44 110.881 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD22 HG12 ' A' ' 35' ' ' VAL . 1.5 tp -59.24 -38.0 78.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.23 -24.23 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 64.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -94.0 20.02 8.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 56.44 46.7 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -30.72 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 62.53 110.872 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.98 -76.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 54.4 110.852 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 -68.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.871 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.701 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 5.4 p90 -145.34 154.3 42.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 53.4 110.904 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.739 HG12 HD22 ' A' ' 27' ' ' LEU . 7.3 p -139.65 126.46 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.155 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.73 136.07 45.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 55.24 111.117 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.43 ' CE ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.86 156.15 49.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.875 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -134.06 166.38 22.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 71.41 110.867 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 69' ' ' PRO . 29.6 mt -85.79 125.73 40.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 46' ' ' ALA . 95.6 t -109.44 130.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 75.41 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.66 15.88 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.832 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 48.6 32.1 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -144.86 -41.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 55.43 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.97 126.81 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.31 110.853 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.74 131.54 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -128.82 160.98 30.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 61.42 111.125 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.67 138.24 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.42 111.121 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -106.0 -49.83 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.2 m -161.74 107.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 tt -96.59 147.7 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 72.45 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.7 -172.76 25.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 44.25 112.49 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -179.92 58.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 70.54 110.915 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 55.72 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.88 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.04 -28.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 63.3 112.499 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.701 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.93 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.309 . . . . 64.52 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.56 167.03 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.899 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.93 -32.63 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.13 110.941 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -47.42 84.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.85 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -69.95 -31.0 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.941 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 64' ' ' ILE . 5.7 t80 -65.44 -51.51 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.869 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -36.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.15 -39.85 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.858 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.65 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.22 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.2 pp -71.53 135.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.54 111.094 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.35 118.23 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.887 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 88.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 43.41 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -179.46 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.89 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.406 HG23 ' SG ' ' A' ' 70' ' ' CYS . 13.7 m -66.98 154.58 92.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 75.52 111.102 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.76 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 65.34 112.359 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 68' ' ' VAL . 31.6 m -139.66 153.97 47.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.913 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.635 ' HB3' HD11 ' A' ' 90' ' ' LEU . 37.3 m-85 -129.15 130.07 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 61.33 110.936 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.5 128.27 50.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 64.15 111.093 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.67 129.2 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 73.33 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.52 128.71 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.64 133.52 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 72.32 110.912 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -139.12 161.96 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -111.71 147.24 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.886 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -148.99 166.97 27.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.919 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -118.46 50.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.01 111.158 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 81' ' ' ASN . 8.8 t -77.49 -41.5 39.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.161 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.417 ' N ' HG23 ' A' ' 80' ' ' THR . 27.6 t-20 -78.82 -36.29 42.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 t0 178.8 -43.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.866 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.81 -79.82 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 55.3 112.519 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 71.1 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 73.42 112.328 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -114.45 149.29 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.872 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -119.39 134.52 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 128.67 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 138.2 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.93 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.63 149.05 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.144 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 71' ' ' TYR . 22.3 tp -122.97 118.9 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 61.13 110.968 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 136' ' ' ILE . 4.0 mp -117.58 119.39 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.3 111.115 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 t -101.31 138.71 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -93.42 115.26 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 70.12 110.841 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.13 85.73 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 71.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.86 24.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 72.25 112.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -58.01 -22.9 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.897 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 13.77 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 61.22 110.877 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.57 -111.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 61.42 112.482 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -124.5 159.37 58.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 72.04 111.081 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.79 -46.29 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 62.42 112.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -59.95 -42.53 94.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 64.11 110.842 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 99' ' ' ALA . 18.9 p -66.47 -38.91 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.122 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -62.88 -48.26 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -42.44 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 64.4 110.878 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.07 -29.91 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.951 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -58.96 -48.81 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.946 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 t -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.844 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 m -55.58 -26.1 41.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 44.44 110.834 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -95.47 -26.32 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.857 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -66.05 -39.37 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.879 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.05 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 55.14 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.74 -23.25 31.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 62.31 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.48 -55.38 38.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 74.44 111.114 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 -33.45 16.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 42.55 112.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.39 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.91 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.611 ' CG2' HD13 ' A' ' 24' ' ' LEU . 76.8 p -119.86 64.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -85.36 122.49 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.49 -50.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 70.12 112.5 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.16 144.52 50.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 63.13 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.42 101.24 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.966 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.02 104.07 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 41.31 112.463 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.754 HD13 ' HD2' ' A' ' 139' ' ' LYS . 3.8 mp -131.67 128.78 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 73.15 111.123 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -82.55 133.72 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 44.24 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.91 127.98 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 51.53 111.094 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -108.14 158.4 17.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.929 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.59 -164.5 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.61 -26.58 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.116 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -107.05 18.84 36.03 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 30.24 112.5 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 130' ' ' GLY . 54.6 mt -136.3 23.88 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 65.55 110.909 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.12 106.79 19.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -51.82 -38.07 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.832 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 -34.04 68.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.21 -42.29 80.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.923 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 91' ' ' ILE . 47.2 mm -65.29 -47.2 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.123 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -64.19 -37.57 87.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 63.33 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.4 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 71.11 110.871 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.754 ' HD2' HD13 ' A' ' 123' ' ' ILE . 1.7 mmtm -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.31 110.88 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.9 p -63.55 -40.4 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -22.27 53.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 65.14 110.916 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -32.03 73.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.854 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.7 m120 54.81 33.16 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.853 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.828 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.767 0.317 . . . . 60.22 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.39 27.18 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.146 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.9 mtt -114.22 -28.5 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 64.04 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -166.19 96.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.865 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.23 -32.83 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 72.25 112.512 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.4 p -51.35 120.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 70.14 111.106 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.88 141.5 40.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.903 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.7 p -73.22 122.79 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 62.21 111.176 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.31 155.88 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.14 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -53.46 -36.94 62.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.84 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.87 -43.08 90.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -65.64 -43.7 88.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 70.34 110.899 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.885 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.66 -48.11 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 64.54 111.076 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -41.96 95.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.141 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.21 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.085 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.17 -39.9 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.927 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.02 -45.89 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.865 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.73 -38.69 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.62 -44.45 81.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.1 110.916 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -63.69 -24.33 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.854 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.25 20.13 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.869 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tttt 62.17 46.59 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.927 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -71.23 -68.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 62.14 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.98 -76.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 62.05 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.666 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 7.9 p90 -145.21 153.34 41.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.903 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 27' ' ' LEU . 7.3 p -141.15 123.82 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 63.42 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -107.44 136.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.14 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.76 155.88 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -129.37 163.59 25.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.847 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.2 mt -85.77 126.02 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.183 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 46' ' ' ALA . 60.2 t -110.63 127.72 67.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.114 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.0 15.82 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 52.22 110.801 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 48.96 32.18 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.928 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -145.09 -41.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.25 110.876 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.82 127.02 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 61.44 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 70.1 mt -82.32 131.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.23 111.101 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.16 150.63 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.42 111.1 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.26 138.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -107.18 -46.38 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 70.23 110.876 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -162.06 106.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.184 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.55 147.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 64.45 111.167 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.81 -171.77 25.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 45.43 112.534 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -179.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 60.74 19.72 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.65 13.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 61.22 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -94.33 111.11 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 60.35 111.088 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.93 162.41 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -69.53 -36.91 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -46.86 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.85 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.884 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.1 t80 -65.63 -45.71 82.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.878 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 64' ' ' ILE . 50.6 mm -71.31 -43.97 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 73.34 111.15 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.52 -40.51 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.915 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.57 -53.29 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.064 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 60' ' ' PHE . 11.3 tt -68.64 147.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 62.15 111.154 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -169.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.909 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.54 68.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.905 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' HB ' ' HD2' ' A' ' 69' ' ' PRO . 16.7 m -69.19 152.9 96.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 65.25 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.582 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 74.01 112.351 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.49 147.54 50.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 61.35 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -129.01 129.9 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -116.47 123.89 48.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 40.02 111.143 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.611 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.43 113.27 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -111.53 127.54 55.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -101.63 122.32 43.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 64.3 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -133.37 135.15 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 45.22 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.63 147.06 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 63.42 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -152.1 156.6 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.927 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -127.46 43.88 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 74.2 111.17 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.2 m -78.88 -48.25 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 65.22 111.142 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.4 -38.96 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 54.41 110.899 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.98 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.846 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.11 161.32 14.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 42.32 112.489 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 62.04 112.307 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 176.33 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 60.54 110.848 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.02 134.62 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.03 110.841 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.85 134.65 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -108.63 130.02 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 60.24 110.876 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.94 150.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.143 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.23 121.02 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 129.98 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.12 111.132 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.17 125.69 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.854 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -111.77 114.17 26.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.19 160.04 0.51 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.554 0.692 . . . . 73.34 110.911 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 63.01 112.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.93 -41.17 91.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.867 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.3 13.9 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.803 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.85 -93.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 64.13 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.645 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -115.55 156.64 45.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 71.53 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.4 Cg_endo -69.79 -36.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 71.45 112.338 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -45.47 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.0 t -68.09 -37.2 80.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.124 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -65.33 -48.2 73.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -39.89 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 51.22 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 39' ' ' ILE . 13.2 mt -55.03 -29.69 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 73.03 110.932 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -58.8 -48.86 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.957 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -78.58 -32.2 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 62.1 110.891 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -67.28 -22.07 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.81 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.618 ' O ' HD12 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -104.21 -25.66 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 45.03 110.847 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -40.8 97.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.84 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 60.24 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -22.9 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.32 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' SER . 0.4 OUTLIER -82.76 -26.51 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 64.42 110.951 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.67 -55.51 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 71.33 111.154 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.71 -31.23 21.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 64.11 112.358 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.32 -24.28 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.938 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.3 p -130.66 61.47 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -52.76 122.47 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.5 110.891 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 79.92 46.92 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 62.42 112.492 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.53 158.16 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.53 110.888 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.94 104.01 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.2 113.31 4.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.11 112.511 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.45 136.31 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 73.53 111.165 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -109.83 123.99 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.595 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.68 130.75 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.059 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -97.78 156.47 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 63.03 110.861 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.91 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.843 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 131' ' ' LEU . . . -52.58 -26.37 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.105 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 t -59.72 -23.25 63.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.859 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.595 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -104.98 29.76 11.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 73.02 112.497 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 128' ' ' ALA . 11.1 mt -142.07 20.62 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 71.03 110.933 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.44 96.2 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.884 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -55.7 -42.39 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 60.14 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -32.0 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -68.31 -42.08 79.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.59 -47.13 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 65.31 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 m -62.41 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.826 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -37.14 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.845 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -48.4 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.94 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.9 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.11 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -28.04 64.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.877 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t -83.08 -27.57 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.885 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.87 53.35 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.905 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.808 0.337 . . . . 72.51 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.31 -66.17 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.44 111.124 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.6 mtp -71.06 -36.13 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -144.79 82.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 70.31 110.853 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.21 -178.05 20.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 74.23 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t 64.47 144.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 75.34 111.154 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 136.79 54.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.803 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.55 122.46 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 143.79 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.116 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.3 -31.46 44.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.887 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.896 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.872 HG13 HD11 ' A' ' 116' ' ' LEU . 52.8 t -60.64 -48.34 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 55.31 111.139 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -64.55 -44.01 92.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.55 111.149 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.57 85.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 24.42 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.16 -42.02 76.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 63.35 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -46.02 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.86 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.58 -37.0 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.831 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 33' ' ' ARG . 57.7 tp -60.79 -35.17 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD21 ' A' ' 88' ' ' LEU . 1.4 ptm180 -62.77 -24.74 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 18.23 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.16 46.61 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.895 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.41 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.45 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -78.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 51.42 110.852 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 177.12 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 75.41 110.839 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -145.21 155.35 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.645 HG22 HG13 ' A' ' 50' ' ' ILE . 61.2 t -137.32 122.27 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.14 111.131 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -107.67 137.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.646 ' CE ' HD21 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -130.07 153.7 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 63.54 110.876 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -128.15 150.85 49.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 74.51 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.581 HD12 ' CG ' ' A' ' 69' ' ' PRO . 30.1 mt -84.97 117.72 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.106 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.48 134.04 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 60.4 111.149 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.7 24.0 6.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.843 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.688 ' CB ' HD11 ' A' ' 105' ' ' LEU . 16.4 pt20 39.46 40.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.917 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -151.1 -40.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.61 127.05 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.431 HD11 ' OG ' ' A' ' 109' ' ' SER . 65.8 mt -83.11 131.06 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.135 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.14 44.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.12 111.065 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.1 138.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 54.43 111.121 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 -56.44 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.926 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -158.89 106.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.115 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 35' ' ' VAL . 16.8 tt -96.93 145.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.082 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.61 -179.75 22.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 73.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -178.73 65.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 72.51 110.91 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 55.92 24.64 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.892 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.31 -36.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 61.23 112.458 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.5 141.33 20.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 72.24 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.36 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.926 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.48 -41.96 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.22 110.881 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -46.78 86.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -71.09 -31.28 67.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 64' ' ' ILE . 5.2 t80 -65.88 -47.97 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.21 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.1 mm -71.3 -43.25 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.04 111.142 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.59 -40.31 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.38 -53.92 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 60' ' ' PHE . 2.4 tt -68.28 147.37 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 64.03 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.08 -170.09 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.899 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -143.4 75.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 65.32 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.6 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 61.35 110.913 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.15 154.47 37.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 64.41 111.135 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.581 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 74.12 112.319 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.7 m -137.48 142.34 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.21 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 90' ' ' LEU . 84.1 m-85 -115.78 129.6 56.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.964 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.1 123.04 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 41.52 111.077 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.63 123.6 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 31.33 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.25 127.1 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -104.23 118.81 37.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.862 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -118.51 118.68 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.879 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -88.0 139.23 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -151.5 175.99 11.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.34 110.896 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t -114.93 53.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 55.13 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.9 p -77.37 -43.96 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -77.68 -35.62 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 64.3 110.882 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.9 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.883 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.77 -79.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 71.42 112.449 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 72.37 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.656 2.238 . . . . 72.21 112.356 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.17 149.04 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.43 110.882 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -145.19 134.64 23.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 125.73 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.884 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' A' ' 28' ' ' ARG . 5.8 mp -101.05 128.83 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.917 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.532 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.34 148.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 72.21 111.094 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -121.08 118.96 31.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.904 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.4 mp -117.78 129.4 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.161 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.33 117.57 35.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.87 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -105.9 114.51 28.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -179.84 155.07 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 44.22 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 130.79 19.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 72.44 112.329 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.09 -41.23 90.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.12 110.879 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -109.0 14.07 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.842 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.35 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 74.42 112.488 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.2 158.87 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 64.31 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.2 Cg_endo -69.83 -36.74 10.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 74.23 112.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -69.23 -32.45 71.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' HD3' ' A' ' 69' ' ' PRO . 98.5 m -73.75 -47.23 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.32 111.109 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -48.07 49.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.35 110.889 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 42' ' ' GLN . 23.2 mt -56.3 -30.46 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.11 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.95 -33.85 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.955 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -32.97 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 73.04 110.851 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -42.64 83.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 61.24 110.873 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' HD11 ' A' ' 45' ' ' ILE . 9.2 t -83.85 -17.32 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.87 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.615 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -62.51 -38.99 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.859 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.87 -41.62 98.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.877 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.95 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.646 HD21 ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -83.77 -15.26 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.937 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -61.21 -55.53 42.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 71.14 111.134 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.5 Cg_endo -69.8 -34.08 15.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 65.14 112.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -70.58 -48.31 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.917 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 p -105.9 46.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 60.43 111.168 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -81.66 132.47 35.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 12.54 33.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 72.1 112.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.37 152.85 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 75.55 110.841 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -81.84 111.79 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.13 120.23 6.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 70.12 112.49 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.45 138.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 64.32 111.083 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -109.89 120.23 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 64.42 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.58 138.59 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -97.46 156.96 16.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 53.42 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.67 -161.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 64.24 110.854 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.13 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.12 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -60.2 -22.82 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -106.04 43.11 1.74 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 72.24 112.491 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 33.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 75.51 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.12 110.47 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.872 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -47.69 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.901 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.45 -34.46 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 72.21 110.841 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.58 -39.65 80.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 44.41 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 140' ' ' VAL . 48.0 mt -67.19 -47.03 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.161 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.3 m -64.81 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -37.56 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 62.13 110.888 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.61 -48.6 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -68.05 -37.79 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 70.21 111.13 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -63.24 -34.73 78.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 -37.64 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 62.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 60.08 33.0 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.6 mtt-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.886 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.791 0.329 . . . . 71.24 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 26.18 14.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 41.42 111.13 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 ptm -106.51 -28.86 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.11 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -73.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 72.51 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.23 -48.74 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 54.52 112.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t 60.25 103.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 73.13 111.168 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.92 136.86 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.856 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.5 p -73.39 122.74 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 52.14 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 152.66 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.11 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -58.5 -28.45 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.9 -43.46 91.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 61.42 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 m -66.05 -42.74 89.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 40.14 110.911 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 116' ' ' LEU . 23.5 t -58.68 -52.15 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.23 111.161 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.13 111.143 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.64 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 32.21 111.092 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -69.08 -40.41 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.81 -46.33 84.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.04 -37.74 69.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.921 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 35' ' ' VAL . 3.4 tp -56.64 -43.98 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 64.31 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -24.13 67.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.46 20.15 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.02 46.68 6.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.913 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -72.66 -53.45 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.885 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -77.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 -63.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 73.23 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -142.56 146.16 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.23 110.909 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.816 HG12 HG23 ' A' ' 50' ' ' ILE . 19.7 m -133.65 124.18 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 61.45 111.136 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.971 HG21 HD11 ' A' ' 64' ' ' ILE . 8.4 mt -111.82 131.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mtm -131.78 156.18 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 54.53 110.823 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -138.22 167.48 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.643 HD12 ' CG ' ' A' ' 69' ' ' PRO . 28.8 mt -85.75 129.25 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 46' ' ' ALA . 57.7 t -112.93 128.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.132 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.85 15.86 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.666 ' CG ' HD21 ' A' ' 105' ' ' LEU . 30.3 mt-30 48.97 31.65 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.959 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -143.2 -41.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.65 127.11 45.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.839 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 16' ' ' VAL . 43.6 mt -81.44 131.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 73.51 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.783 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.09 165.56 21.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 51.41 111.104 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.08 138.34 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 43.02 111.118 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -106.97 -50.4 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.6 m -161.26 108.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.816 HG23 HG12 ' A' ' 35' ' ' VAL . 96.6 mt -107.95 142.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.53 111.137 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.27 -169.71 33.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 73.51 112.453 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -179.85 56.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 74.01 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 63.38 25.76 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.51 16.57 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -104.65 130.2 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 75.01 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.87 168.64 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 53.05 110.904 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -32.04 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.853 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -47.01 87.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.849 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -72.31 -31.15 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -63.4 -50.48 69.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.1 -38.92 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.102 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -40.64 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.897 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.99 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 53.51 111.074 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.971 HD11 HG21 ' A' ' 36' ' ' ILE . 41.1 mm -66.39 143.5 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.38 147.6 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -87.85 91.31 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.19 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.76 154.59 94.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 72.43 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.643 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.4 Cg_endo -69.78 123.37 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 74.0 112.353 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -154.92 145.05 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.865 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.435 ' OH ' HG21 ' A' ' 45' ' ' ILE . 20.0 p90 -128.92 139.01 52.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.891 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.29 120.09 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.055 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -107.0 113.24 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.094 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -116.49 140.57 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.56 124.97 35.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.835 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -124.38 174.74 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.15 110.888 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.04 147.3 37.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 65.44 110.892 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.75 164.49 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.903 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 t -115.75 56.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 42.31 111.15 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.2 m -77.43 -49.34 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 61.42 111.197 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.67 -36.02 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.888 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.03 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 51.5 110.852 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.54 -76.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 53.11 112.496 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 74.31 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 61.5 112.327 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.12 149.32 44.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.889 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -113.79 134.15 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -144.43 121.88 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.73 136.0 39.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.74 HG21 HD12 ' A' ' 136' ' ' ILE . 2.3 mp -116.48 148.77 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.13 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -126.32 120.29 29.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.958 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -107.96 118.91 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.25 111.095 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -101.19 138.56 38.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 53.32 110.848 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.29 115.54 29.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.875 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -157.53 80.38 3.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 74.11 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.64 23.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.738 2.292 . . . . 64.12 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.03 -23.12 53.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.02 13.37 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.853 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 -107.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 74.21 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.648 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -134.25 159.09 73.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 73.35 111.111 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.85 -47.81 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 54.33 112.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 105' ' ' LEU . 15.8 mtt180 -67.86 -44.17 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 63.13 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 42.9 p -62.54 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.119 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -58.46 -48.41 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.921 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -30.43 65.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 70.23 110.838 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 42' ' ' GLN . 1.4 mp -55.84 -48.78 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 61.31 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -33.89 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.948 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.4 p -79.2 -28.36 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 65.43 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.59 65.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.895 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 p -111.69 17.25 20.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.857 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.9 ptt180 -66.33 -44.32 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 53.42 110.835 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -66.44 -33.12 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.899 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.64 -31.35 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.54 111.099 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.49 -22.25 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 61.31 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.07 -55.46 27.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 72.44 111.136 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.72 -34.95 13.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 75.35 112.346 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -66.36 -32.36 73.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 63.41 110.931 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.7 p -106.77 46.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 41.52 111.17 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.39 122.49 29.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.12 -46.84 1.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 52.15 112.488 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -71.09 133.11 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.14 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -65.11 91.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.78 114.8 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 72.22 112.438 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.49 138.53 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 65.21 111.134 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.15 116.76 32.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.25 129.61 14.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.148 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.82 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.865 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.64 -163.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 55.23 110.848 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.33 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.163 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -23.27 62.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.13 110.87 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.655 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -83.36 -17.0 67.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 74.21 112.531 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.73 25.92 11.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 75.52 110.929 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -71.4 101.6 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.84 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -56.34 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.52 -35.93 70.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -67.49 -43.43 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.74 HD12 HG21 ' A' ' 89' ' ' ILE . 45.6 mm -63.09 -47.17 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 74.35 111.118 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.31 -35.52 80.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -69.47 -48.17 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.883 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -68.04 -38.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 73.01 111.112 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -21.76 55.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 61.51 29.99 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 41.51 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.852 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.9 mtt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.772 0.32 . . . . 74.21 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.34 33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.14 111.076 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 157.12 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.15 110.87 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.5 m -135.23 73.32 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.863 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.95 -70.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 64.51 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 105' ' ' LEU . 41.2 t 59.86 101.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 43.33 111.161 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.92 137.05 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.871 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.0 p -74.47 123.66 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.3 111.086 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 149.37 50.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.106 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.47 -34.09 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 71.3 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.61 -40.08 82.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.843 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 m -66.85 -45.03 79.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG22 HD11 ' A' ' 116' ' ' LEU . 37.1 t -58.79 -49.31 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.169 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 62.43 111.153 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.59 86.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 62.21 111.092 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 117' ' ' THR . 10.7 mt -68.78 -41.32 78.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -45.98 85.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -37.0 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -60.52 -36.83 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.921 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.621 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.7 ptm180 -63.28 -24.56 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.902 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.94 20.38 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.31 46.54 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.852 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.09 -40.1 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -78.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.875 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.57 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 72.35 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.3 p90 -145.3 136.38 24.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.919 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -124.54 128.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 72' ' ' ALA . 5.6 mm -107.52 128.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.34 111.122 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 154.8 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -139.71 162.61 34.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.639 HD12 ' CG ' ' A' ' 69' ' ' PRO . 20.1 mt -85.83 127.4 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.091 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 46' ' ' ALA . 83.7 t -110.14 128.26 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 62.25 16.21 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.932 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 105' ' ' LEU . 8.5 mp0 48.66 31.7 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.954 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -40.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 62.32 110.903 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.01 127.23 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.893 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 16' ' ' VAL . 45.3 mt -80.58 131.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 54.44 111.158 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.37 165.71 23.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.24 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.36 138.57 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 54.04 111.167 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.58 -49.31 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -160.94 109.67 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.487 HD11 ' OE2' ' A' ' 52' ' ' GLU . 11.7 tt -95.61 147.74 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 35.13 111.093 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA2' ' HB3' ' A' ' 55' ' ' ALA . . . -87.26 -92.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 75.44 112.476 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 50' ' ' ILE . 3.9 mt-10 65.29 53.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 73.13 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 51.64 29.84 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.908 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.98 -32.62 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 44.35 112.531 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -99.04 131.97 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 34.41 111.124 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.08 173.37 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 55.44 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -69.89 -34.08 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.839 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.7 -47.87 81.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.77 -31.03 64.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.44 -48.82 73.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.51 -41.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 71.15 111.117 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.39 -40.17 85.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.866 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.05 -54.03 8.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.04 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 36' ' ' ILE . 34.0 mm -63.35 124.9 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.098 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.34 -170.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.31 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 66.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.23 -63.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 63.2 110.902 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -80.99 152.79 71.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 74.34 111.133 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.639 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 131.4 21.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 53.02 112.32 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.5 m -147.21 142.29 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.53 110.885 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -122.54 130.23 52.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.92 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.502 ' CB ' HD12 ' A' ' 36' ' ' ILE . . . -113.44 121.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 73.34 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.85 110.12 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.151 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -113.56 127.39 56.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.14 124.39 39.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.06 111.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 52.32 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.44 134.91 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 65.43 110.895 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -153.26 176.04 12.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 55.14 110.925 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -102.72 62.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.03 111.156 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -77.66 -49.92 13.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 51.53 111.142 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -77.86 -35.59 50.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.889 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.04 -32.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.861 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.52 -77.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 63.35 112.452 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 73.72 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 54.02 112.37 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 149.39 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 73.15 110.851 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.21 134.59 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.874 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 121.81 32.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 60.33 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 28' ' ' ARG . 7.9 mp -90.93 132.84 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.913 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.737 HG21 HG23 ' A' ' 136' ' ' ILE . 3.5 mm -118.23 148.31 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 54.51 111.106 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -125.11 119.92 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.93 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.05 127.2 74.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.102 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 128.96 53.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 61.53 110.84 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.752 ' CZ3' HD21 ' A' ' 131' ' ' LEU . 2.5 t90 -111.62 114.78 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.899 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.33 129.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 74.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.89 24.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 61.24 112.355 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.98 -25.1 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.88 13.77 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.851 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.48 -98.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 54.25 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -128.25 159.66 66.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 75.03 111.058 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.72 -38.94 7.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 73.22 112.374 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -63.63 -45.24 91.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.872 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.4 t -70.52 -37.46 74.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 52.24 111.159 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -48.39 80.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.874 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -46.82 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.895 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 42' ' ' GLN . 26.2 mt -55.1 -30.53 59.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.939 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.04 -33.83 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.895 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -91.33 -30.75 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.873 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -67.19 -42.5 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 54.41 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.3 p -83.32 -20.61 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -61.66 -39.33 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.857 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.8 95.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.914 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.35 -23.6 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.098 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.82 -17.33 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 61.23 110.956 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -60.83 -55.47 44.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.651 0.739 . . . . 70.52 111.098 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 -36.09 11.5 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 75.14 112.362 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -68.67 -47.52 66.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.05 110.91 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 24' ' ' LEU . 23.7 p -111.43 49.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.15 111.166 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.26 138.92 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.963 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.88 10.11 57.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.79 -0.719 . . . . 55.22 112.477 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -123.78 120.08 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 74.21 110.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -51.94 103.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.25 119.53 6.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.34 112.471 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.38 138.59 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 73.24 111.172 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -107.01 124.11 49.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.546 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.44 129.34 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.093 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -97.84 156.94 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 43.55 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.07 -163.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.854 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.31 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.31 111.154 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -59.7 -23.49 63.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.603 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -104.64 28.82 13.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 55.34 112.487 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.752 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 78.5 mt -141.07 20.99 2.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.346 . . . . 75.34 110.922 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -85.92 96.04 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.832 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.34 -38.19 65.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -57.49 -33.02 67.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -41.88 81.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.737 HG23 HG21 ' A' ' 89' ' ' ILE . 79.0 mt -67.09 -47.08 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 72.01 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.4 p -62.57 -39.51 93.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 43.53 110.866 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -69.07 -37.12 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.43 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -48.35 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.899 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.83 -37.93 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 33.35 111.137 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.28 -34.21 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.916 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.73 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.82 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 53.24 42.41 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.816 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.339 . . . . 71.12 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.17 37.33 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 62.02 111.048 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 ptp -156.76 50.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.873 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -137.13 -52.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 41.25 110.872 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.03 -20.59 44.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 65.32 112.427 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.663 ' CG2' HD22 ' A' ' 105' ' ' LEU . 42.8 t 60.29 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 61.3 111.125 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.81 137.25 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 64.04 110.89 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -73.14 127.81 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' ILE . . . -67.59 149.38 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.14 111.156 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.39 -36.96 62.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 73.33 110.821 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -36.88 71.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.887 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.78 -45.11 72.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.33 -51.9 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.35 111.132 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -62.4 -42.49 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.142 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -57.85 -42.96 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.069 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.15 -41.96 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 53.04 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -46.18 83.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 51.04 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.78 -37.13 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.617 HD13 HG13 ' A' ' 35' ' ' VAL . 2.6 tp -59.22 -36.78 76.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.623 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.3 ptm180 -62.93 -24.55 67.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 65.5 110.885 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -101.4 20.3 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 62.02 46.7 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.933 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -72.88 -38.54 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 54.41 110.898 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.55 -79.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' C ' HD11 ' A' ' 27' ' ' LEU . 1.3 tpt180 179.0 -67.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.86 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.75 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -143.72 144.65 31.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.953 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 50' ' ' ILE . 16.1 m -130.99 116.03 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.153 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -104.54 136.82 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.151 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.91 155.96 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.899 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.29 163.97 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.851 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.645 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.3 mt -87.01 129.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.112 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 46' ' ' ALA . 94.8 t -114.67 128.35 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.75 15.91 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.868 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.638 ' CG ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER 48.67 32.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.34 -40.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.896 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.7 127.32 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.884 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 57.9 mt -83.85 131.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 43.32 111.111 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -126.44 161.85 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 61.12 111.085 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.82 138.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.075 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -110.83 -57.19 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.633 HG21 ' HB1' ' A' ' 63' ' ' ALA . 48.6 p -149.36 99.32 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 71.53 111.157 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.726 HG13 HG12 ' A' ' 35' ' ' VAL . 19.0 tt -96.08 140.84 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 60.53 111.157 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.97 -171.83 22.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 65.43 112.487 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -158.82 -49.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.21 110.874 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 177.73 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.67 -15.99 1.08 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 62.3 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.75 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -66.59 95.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 72.12 111.12 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -71.49 177.57 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 43.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 61' ' ' ILE . 44.8 p90 -69.56 -29.09 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.873 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.07 -47.27 85.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.82 -31.79 68.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.39 -51.75 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.886 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 57' ' ' PHE . 1.4 tt -70.35 -35.51 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 55.24 111.175 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.633 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -75.29 -53.91 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 70.21 111.08 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.6 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.107 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -136.09 114.55 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.872 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 105.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.01 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG21 ' A' ' 102' ' ' THR . 2.8 t-20 179.91 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.947 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -81.59 154.7 71.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 63.14 111.151 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.71 110.58 2.58 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 75.34 112.37 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.9 m -130.27 151.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.92 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.85 130.03 46.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.915 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.28 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.45 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.54 115.31 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 51.12 111.125 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.47 127.25 55.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.943 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 119.66 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -133.09 130.63 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.71 147.29 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -151.41 175.99 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.922 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -106.08 61.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.9 m -77.5 -49.81 13.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -77.85 -35.57 50.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 73.24 110.844 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.37 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.841 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.11 -77.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 74.11 112.499 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 74.22 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.733 2.289 . . . . 71.13 112.328 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.32 149.36 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 73.34 110.9 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.34 134.56 49.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -132.7 133.84 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.887 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.623 HD21 ' CA ' ' A' ' 28' ' ' ARG . 5.6 mp -108.5 129.51 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.93 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 136' ' ' ILE . 3.4 mp -115.12 152.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.116 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.58 120.77 31.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 42.33 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD11 ' A' ' 136' ' ' ILE . 3.7 mp -117.01 128.97 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.2 111.175 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.7 t -130.03 139.15 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -106.56 115.22 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -151.81 90.33 3.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 72.14 110.949 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.65 23.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 64.14 112.377 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -57.89 -25.2 60.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 p -94.47 12.99 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.808 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -88.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 54.12 112.471 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.89 150.64 43.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 74.43 111.114 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.99 9.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.711 2.274 . . . . 70.4 112.327 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -67.84 -36.0 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' N ' ' A' ' 69' ' ' PRO . 97.3 m -68.05 -46.08 72.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 64.21 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.62 -39.17 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.925 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -48.26 49.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.838 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.663 HD22 ' CG2' ' A' ' 14' ' ' VAL . 25.7 mt -56.94 -29.94 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 52.23 110.909 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.58 -49.02 78.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.929 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -29.47 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 73.54 110.837 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.9 m -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 75.52 110.843 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.25 -23.49 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 114' ' ' VAL . 11.2 ttt180 -65.19 -39.49 92.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.892 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -62.13 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.91 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -22.85 44.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.04 111.119 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.43 -22.93 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.21 -55.55 38.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 51.34 111.103 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.78 -34.79 13.81 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 64.44 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.67 -41.13 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 54.31 110.891 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.4 p -101.6 61.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.135 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 125.24 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 70.33 110.933 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.02 53.23 19.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 45.02 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.61 158.23 38.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 73.33 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -102.43 82.9 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.03 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.36 116.51 4.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 52.23 112.465 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.45 132.53 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 63.13 111.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.82 116.86 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.81 142.79 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.122 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -97.65 155.99 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 64.2 -160.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.879 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.29 -26.02 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.44 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.5 m -59.88 -24.97 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.848 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.421 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.12 42.48 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 74.02 112.495 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.33 32.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 73.3 110.894 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -89.33 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.857 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.03 -47.67 64.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.926 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.48 -33.43 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 75.02 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.79 -40.59 79.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 89' ' ' ILE . 42.6 mm -67.05 -47.03 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.13 111.121 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -64.48 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.858 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -38.0 79.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 75.21 110.855 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -48.68 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.5 p -68.07 -37.85 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 63.21 111.132 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -71.56 -32.34 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.8 t -82.0 -31.19 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.864 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.83 47.23 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.833 0.349 . . . . 74.35 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.65 152.48 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 31.31 111.128 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 mpt? 52.12 83.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 65.3 110.886 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.94 84.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 65.25 112.505 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.7 140.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 72.11 111.109 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 137.76 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.826 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.684 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.5 p -73.31 125.99 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.15 111.124 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.8 160.73 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 53.51 111.062 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.19 -39.98 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.9 -41.13 81.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -66.09 -44.91 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.932 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.64 -46.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.108 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -65.03 -42.38 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.0 -46.39 85.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 44.34 111.147 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 117' ' ' THR . 79.5 mt -67.69 -40.24 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.907 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.02 -45.81 86.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.12 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.72 -37.08 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD13 HG23 ' A' ' 35' ' ' VAL . 11.6 tp -57.98 -44.64 87.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.81 -24.16 67.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.884 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.66 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.858 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 46.63 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 64.44 110.915 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.896 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -76.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.841 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -179.94 -64.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.871 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.03 148.39 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 70.51 110.923 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.727 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -130.95 122.6 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.109 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.89 129.94 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.16 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -131.04 152.99 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.886 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -133.31 163.76 28.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 69' ' ' PRO . 57.7 mt -85.71 124.73 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 62.02 111.155 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 46' ' ' ALA . 96.7 t -114.06 139.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.108 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLN . 18.9 t0 56.64 23.22 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' ASP . 16.8 pt20 38.34 47.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.921 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -165.23 -38.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -122.96 127.07 48.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 41.54 110.833 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 16' ' ' VAL . 46.8 mt -82.11 131.17 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 74.12 111.139 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -125.32 165.32 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 70.25 111.083 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.01 135.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.25 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -50.61 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 m -160.66 105.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.45 111.139 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 HG13 ' A' ' 35' ' ' VAL . 20.4 tt -95.89 147.6 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.138 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.34 179.74 21.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.526 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.06 71.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 65.13 110.867 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 52.27 33.75 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.56 -39.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 41.34 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HB3' ' HE1' ' A' ' 34' ' ' TYR . . . -55.78 107.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 72.52 111.067 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -71.72 162.66 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.872 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.24 -46.54 89.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 54.01 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.76 -31.51 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 63.25 110.912 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.3 t80 -65.97 -46.53 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.915 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.8 mm -71.05 -44.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 63.13 111.122 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -59.41 -40.49 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.908 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.36 -53.22 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.11 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 60' ' ' PHE . 14.3 tt -68.85 146.9 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.176 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.48 118.05 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.868 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -69.35 90.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.961 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -179.33 -74.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -59.65 155.28 40.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 62.31 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.7 87.08 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 75.03 112.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 64' ' ' ILE . 17.9 p -109.96 156.12 20.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 50.13 110.854 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.515 ' HD2' HD21 ' A' ' 90' ' ' LEU . 59.0 m-85 -128.76 130.19 46.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.881 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.2 126.27 53.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 72.45 111.122 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.52 136.07 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -137.44 127.58 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.895 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.08 125.55 40.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 65.4 110.836 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -139.16 135.85 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.827 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.95 147.32 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.918 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.2 175.97 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.914 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.3 t -120.37 50.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 73.53 111.153 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 81' ' ' ASN . 8.9 t -77.61 -41.08 39.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.148 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.405 ' N ' HG23 ' A' ' 80' ' ' THR . 20.0 t-20 -78.75 -36.63 42.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.876 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t70 178.22 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 64.2 110.83 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.89 -78.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.814 -0.708 . . . . 73.1 112.512 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 73.03 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 55.11 112.315 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 149.29 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 71.45 110.849 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.53 134.61 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.851 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 134.19 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.878 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -108.81 133.0 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.43 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -114.84 160.52 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 60.04 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 71' ' ' TYR . 8.7 tt -135.54 125.98 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 64.32 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.04 129.8 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 61.41 111.094 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.41 138.36 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.832 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.429 ' CZ2' HD21 ' A' ' 131' ' ' LEU . 28.4 m0 -102.86 115.07 29.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.944 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.13 92.27 1.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 72.13 110.866 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 139.43 40.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 70.15 112.33 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.56 -22.93 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -102.53 13.64 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 61.54 110.865 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.53 -89.67 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 51.45 112.466 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.633 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -144.79 152.14 51.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 41.12 111.084 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.69 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 54.22 112.314 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -62.7 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.2 110.889 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.0 p -63.41 -45.84 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.5 111.177 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -57.79 -44.91 86.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -42.7 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.901 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.5 mp -55.04 -29.52 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -58.63 -49.14 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.928 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -26.59 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.2 110.861 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 t -67.35 -21.93 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 54.21 110.858 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.29 -19.38 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.86 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 73.35 110.835 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.14 -36.34 82.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 64.1 110.9 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.25 -22.97 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -25.98 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.02 -55.6 29.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 72.44 111.102 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.78 -30.45 22.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 62.44 112.374 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -66.26 -34.29 77.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.9 p -126.61 64.77 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 71.21 111.109 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.53 122.4 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.83 7.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 60.45 112.493 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.31 158.34 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 72.44 110.871 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.511 ' HB2' HG22 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -103.87 89.89 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.956 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.97 113.35 4.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 34.45 112.494 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.44 138.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 70.22 111.127 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.04 118.72 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.516 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.92 129.45 14.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 63.45 111.095 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -98.76 157.51 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.842 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.3 -163.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.32 110.84 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.21 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.14 111.157 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -23.31 63.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.569 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.71 16.38 43.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 34.41 112.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 130' ' ' GLY . 8.4 mt -130.01 23.69 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 74.33 110.896 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.31 95.97 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.844 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -52.07 -41.1 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.887 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.6 -31.8 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.71 -44.28 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.19 -47.17 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 72.4 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.1 p -62.81 -40.12 96.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 61.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -36.13 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.45 110.851 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -67.29 -48.39 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 65.2 110.883 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.99 -37.92 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -66.76 -28.4 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 61.03 110.939 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.8 t -88.25 -31.36 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 14.0 m120 56.26 30.56 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 53.21 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.81 0.338 . . . . 75.22 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.5 32.36 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 73.33 111.106 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.5 mmm 59.05 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -178.03 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.827 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.92 -30.86 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 63.3 112.509 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p -51.2 122.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 71.15 111.112 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.62 33.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.846 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.4 p -73.39 122.28 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.182 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -79.07 156.13 28.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.085 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -53.48 -29.8 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 3.0 pt-20 -60.31 -41.85 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.912 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -45.13 80.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 64.53 110.862 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.934 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.69 -45.72 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 60.42 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -65.87 -43.12 89.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.098 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.36 87.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 55.52 111.11 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 37' ' ' MET . 11.0 mt -69.0 -41.19 78.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -45.99 84.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.907 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.63 -37.97 70.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.046 HD13 HG13 ' A' ' 35' ' ' VAL . 5.1 tp -59.01 -36.89 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -62.9 -24.6 67.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.86 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -96.86 17.6 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 62.12 46.87 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.921 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -32.65 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.886 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.69 -84.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 52.55 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -153.14 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 27' ' ' LEU . 33.5 p90 -144.57 155.68 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.905 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.046 HG13 HD13 ' A' ' 27' ' ' LEU . 31.4 m -126.87 124.47 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.54 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 64' ' ' ILE . 18.2 mt -110.34 124.25 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.13 111.131 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -127.21 155.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.89 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -137.22 168.27 19.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 64.42 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.1 mt -85.72 126.44 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.123 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 46' ' ' ALA . 61.8 t -109.46 129.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.112 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 62.36 16.14 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.865 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 48.81 31.4 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.933 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.01 -41.33 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.893 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.93 126.89 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 51.52 110.86 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 16' ' ' VAL . 76.1 mt -80.66 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 72.22 111.127 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -133.38 159.21 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.089 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.3 m -77.11 138.35 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 52.01 111.143 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -44.39 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 70.54 110.891 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -161.46 119.62 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.126 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.7 pt -101.32 147.75 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.24 111.118 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.35 133.74 11.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 62.42 112.486 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -121.67 45.68 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 74.13 110.875 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 63.04 16.34 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.83 6.29 3.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 63.23 112.503 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.42 112.62 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 70.05 111.15 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 164.15 26.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -69.36 -41.05 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -46.94 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 54.15 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -70.15 -31.48 69.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.06 -47.53 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -35.61 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 35.22 111.135 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.79 -40.75 96.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 61.01 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.98 -51.44 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.93 HD11 HG21 ' A' ' 36' ' ' ILE . 39.8 mm -67.79 132.77 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.32 111.102 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.51 117.36 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.08 90.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -179.33 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 71.02 110.912 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 m -64.53 154.71 83.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 61.35 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.611 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.75 118.91 5.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 74.14 112.335 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.7 m -140.67 149.71 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 54.4 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.16 131.46 47.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.919 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 126.76 47.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.35 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.79 127.55 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -115.3 127.46 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.878 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.09 120.55 39.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -117.73 119.14 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 51.25 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.6 122.02 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.842 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.42 176.12 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.89 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -131.2 48.51 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 74.33 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 m -78.63 -45.55 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 65.04 111.14 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 92.7 m-20 -55.62 -39.02 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.896 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER 167.46 -47.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.858 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.1 166.33 14.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 73.54 112.498 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.29 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 53.23 112.366 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.27 175.23 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -145.19 134.55 23.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 43.13 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.612 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -134.7 140.58 46.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.884 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 28' ' ' ARG . 7.4 mp -107.93 132.12 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 63.44 110.93 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.664 HG21 HD12 ' A' ' 136' ' ' ILE . 4.1 mm -114.93 148.25 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.13 111.125 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.59 120.12 26.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.945 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.49 122.25 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.145 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.4 133.79 45.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HH2' HD23 ' A' ' 131' ' ' LEU . 57.7 m95 -99.17 115.51 29.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.957 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.77 86.44 1.09 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 75.4 110.898 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 132.4 23.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 75.24 112.368 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -58.11 -25.03 60.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 61.23 110.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -98.73 13.25 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.865 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.36 -110.75 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 70.42 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -128.08 160.04 63.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 63.11 111.117 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.71 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 64.25 112.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.82 -35.77 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.757 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.1 p -64.59 -45.57 86.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 51.12 111.128 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -68.23 -37.77 81.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.3 tpt -70.06 -48.03 59.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.38 -30.16 62.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 64.11 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.96 -41.73 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -77.44 -39.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -66.02 -25.14 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 60.33 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 t -100.56 -20.57 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 63.13 110.889 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -61.36 -39.23 89.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.87 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -41.27 99.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.866 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -24.45 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.49 -24.9 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.9 -55.41 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 73.02 111.109 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.43 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 75.41 112.394 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.934 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.45 -32.62 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 61.25 110.946 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.2 p -129.94 51.83 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.116 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -85.38 123.34 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 61.21 110.898 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.06 8.36 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 54.31 112.465 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.409 ' CZ ' HD22 ' A' ' 88' ' ' LEU . 5.1 m-85 -123.86 141.55 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 73.45 110.913 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -62.66 94.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.42 112.96 4.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.455 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HD3' ' A' ' 139' ' ' LYS . 2.1 mp -131.37 134.89 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 74.31 111.132 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 118.5 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 63.15 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.01 134.8 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.51 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.06 156.59 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.3 t0 63.14 -162.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.843 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.14 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -24.09 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.819 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.98 1.06 38.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 63.43 112.464 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.7 mt -114.3 23.58 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 73.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -86.55 97.82 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.841 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.34 -40.75 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 61.4 110.833 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -57.43 -33.96 68.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.39 -40.47 85.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.664 HD12 HG21 ' A' ' 89' ' ' ILE . 48.3 mm -67.97 -47.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.41 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.6 m -61.9 -40.41 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -69.45 -36.44 76.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 123' ' ' ILE . 6.5 mttp -64.66 -48.66 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.3 p -67.86 -37.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.154 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -70.66 -30.87 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 63.44 110.892 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.2 t -68.97 -36.95 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.857 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.23 28.99 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.9 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.841 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.9 ptm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 74.32 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.22 33.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.23 111.069 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 mmt -52.1 -31.37 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.14 110.843 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m 53.24 87.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.899 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.6 25.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.747 -0.74 . . . . 74.45 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 109' ' ' SER . 9.3 p -51.12 136.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 74.31 111.112 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.06 137.62 18.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 63.44 110.885 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.672 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.4 p -75.8 124.68 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.131 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.69 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 61.41 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -58.03 -36.76 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -41.86 81.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.917 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -64.1 -44.97 90.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.7 -51.85 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 63.24 111.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -59.67 -43.09 94.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 64.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.36 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 64.22 111.1 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -63.08 -42.97 99.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.1 -45.85 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -41.53 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.892 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 35' ' ' VAL . 5.8 tp -60.46 -36.08 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 110.91 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.46 -25.44 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -100.3 20.3 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 60.44 46.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.884 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -32.67 71.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -76.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.843 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -175.91 -68.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.778 ' HA ' HD21 ' A' ' 27' ' ' LEU . 2.4 p90 -144.84 152.34 40.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.893 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.971 HG13 HD13 ' A' ' 27' ' ' LEU . 27.8 m -130.32 124.82 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.112 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mt -103.02 128.32 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.13 111.145 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -120.46 148.25 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -128.37 151.4 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.3 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 69' ' ' PRO . 49.7 mt -84.81 122.07 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.549 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 88.4 t -105.93 135.19 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 70.01 111.116 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.2 m-20 50.98 32.57 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.11 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 41' ' ' ASP . 12.0 pm0 30.16 52.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.908 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -164.25 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 63.11 110.936 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -125.22 127.16 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 54.32 110.893 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 16' ' ' VAL . 73.3 mt -81.69 131.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.175 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . . . -129.6 157.26 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.45 111.103 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.06 133.55 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.114 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -102.24 -56.85 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.931 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -161.37 112.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 60.43 111.17 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.729 HG13 HG12 ' A' ' 35' ' ' VAL . 14.7 tt -96.25 144.69 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.54 111.128 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.97 -168.3 33.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 53.35 112.509 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -174.09 46.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 74.53 110.886 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.89 -61.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.924 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.6 -12.84 57.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.486 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.698 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.31 116.8 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.24 111.083 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -78.22 167.63 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.873 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -32.96 72.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.22 -46.98 84.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.98 -36.69 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 52.54 110.921 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' CE1' HG21 ' A' ' 64' ' ' ILE . 7.9 t80 -61.98 -48.06 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 60.1 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.61 -43.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 71.32 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.47 -37.86 79.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 60.33 110.888 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.26 -55.41 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.34 111.075 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.1 pp -68.92 134.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 63.43 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -123.27 123.32 40.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -72.37 79.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.914 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -179.53 -57.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.42 153.08 61.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 72.02 111.098 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.526 ' HG3' HD23 ' A' ' 105' ' ' LEU . 53.2 Cg_endo -69.81 115.26 4.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 73.13 112.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.8 p -140.38 141.97 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.668 ' OH ' HG21 ' A' ' 45' ' ' ILE . 50.5 p90 -129.17 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.945 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.69 133.22 56.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 71.11 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -106.81 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.23 111.107 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.6 127.37 56.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.31 120.15 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.55 110.864 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -121.56 166.68 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.854 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.41 147.2 35.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -150.58 176.0 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.934 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -128.54 50.9 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 61.4 111.116 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -77.54 -39.22 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -78.46 -36.3 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.29 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 61.34 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -168.54 -77.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 71.34 112.518 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 74.03 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 63.25 112.4 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 149.35 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 71.34 110.835 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -138.49 135.41 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 136.59 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 50.54 110.881 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -108.53 134.36 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.923 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.77 150.64 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.092 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.03 119.01 33.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.921 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.8 130.06 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.129 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 138.44 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -120.78 114.84 22.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.899 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 178.96 140.35 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 70.44 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.5 23.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 62.24 112.35 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -20.42 65.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.31 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -108.74 13.84 24.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 41.54 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 -98.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 72.35 112.51 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.616 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -124.2 159.8 55.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 72.31 111.047 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.633 2.222 . . . . 74.45 112.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' NE ' HG23 ' A' ' 102' ' ' THR . 4.4 ppt_? -68.29 -41.37 81.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 66.4 p -65.33 -43.99 89.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 61.42 111.14 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -57.89 -48.16 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -31.57 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.871 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.526 HD23 ' HG3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -55.18 -30.15 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 70.2 110.903 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 -39.54 21.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.811 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -28.13 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 65.05 110.842 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 14' ' ' VAL . 51.7 p -99.34 -24.59 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 61.41 110.881 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -39.38 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -42.05 97.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.856 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.99 -22.99 44.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.116 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -24.79 31.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.89 -55.33 34.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 63.02 111.158 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.77 -33.13 17.18 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 54.11 112.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -45.59 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.858 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 24' ' ' LEU . 9.5 p -109.74 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.101 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 122.49 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 75.12 110.959 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.56 29.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 60.1 112.467 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -128.87 157.09 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 52.12 110.88 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.65 137.58 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.94 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.78 120.53 4.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 54.52 112.566 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.41 136.11 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 74.45 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -107.76 126.86 53.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.03 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.596 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.51 131.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.3 111.087 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.76 156.02 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.26 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.27 13.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 45.02 111.122 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -23.23 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 60.54 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.596 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.28 31.56 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 54.53 112.482 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 130' ' ' GLY . 15.4 mt -146.67 22.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 71.12 110.91 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.64 96.02 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -44.35 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.926 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.49 -33.27 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -40.98 83.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.883 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.8 mm -67.76 -47.18 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.11 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -39.74 94.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.31 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.11 77.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 71.34 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -65.06 -48.44 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.79 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.136 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.81 -35.69 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.01 110.859 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -68.09 -33.71 75.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.837 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 62.25 47.01 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.887 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.728 0.299 . . . . 65.32 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.606 ' HB1' ' CE ' ' A' ' 11' ' ' MET . . . -116.52 113.06 22.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 65.11 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.606 ' CE ' ' HB1' ' A' ' 10' ' ' ALA . 3.4 mtm 56.01 29.99 15.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.848 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -167.23 73.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 25.44 110.847 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 -30.27 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 64.44 112.481 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.755 HG21 ' OG ' ' A' ' 109' ' ' SER . 5.1 p -51.06 122.47 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 74.35 111.116 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -142.98 137.56 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 51.22 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.623 HG11 ' CD2' ' A' ' 116' ' ' LEU . 6.6 p -73.53 122.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.106 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 155.42 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.105 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.31 -36.89 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.854 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.81 -37.76 74.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -68.7 -45.05 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 65.1 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 116' ' ' LEU . 22.1 t -58.71 -52.25 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 70.45 111.179 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -62.86 -41.25 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 65.22 111.174 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.86 86.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 55.21 111.113 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.46 -41.57 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.07 -46.21 82.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.888 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -71.49 -41.28 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.851 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 HG13 ' A' ' 35' ' ' VAL . 1.1 tp -55.93 -35.29 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.924 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.48 -24.9 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.84 19.1 15.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 65.11 110.847 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt 62.04 47.01 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.864 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.12 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.04 110.886 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 -78.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.843 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 179.17 -72.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 71.34 110.911 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -135.56 141.4 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.921 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.661 HG12 HG13 ' A' ' 50' ' ' ILE . 15.7 m -127.67 118.73 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 70.43 111.159 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 mt -108.52 137.04 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 75.53 111.148 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.99 156.08 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.852 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.22 165.12 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.851 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.596 HD12 ' CG ' ' A' ' 69' ' ' PRO . 17.1 mt -85.82 126.07 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.126 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 t -108.85 132.8 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.13 111.069 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER 51.18 33.95 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.22 110.898 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 41' ' ' ASP . 11.8 pm0 29.43 54.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.924 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -164.6 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 127.33 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.13 110.86 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.437 HD12 HG12 ' A' ' 39' ' ' ILE . 29.3 mm -81.46 131.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 74.3 111.149 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.87 166.02 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.117 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.19 138.57 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.103 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -109.8 -56.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.564 HG21 ' HB1' ' A' ' 63' ' ' ALA . 56.1 p -150.04 101.05 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.661 HG13 HG12 ' A' ' 35' ' ' VAL . 14.4 tt -96.62 139.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.197 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.46 -171.12 22.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 43.21 112.505 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.98 -51.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 63.31 110.895 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 179.1 33.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.12 21.09 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 73.04 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -96.89 99.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.32 111.097 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.59 170.66 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -69.42 -33.79 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.926 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.69 -47.03 87.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -68.52 -31.56 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.902 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.633 ' O ' HG22 ' A' ' 64' ' ' ILE . 41.4 t80 -65.31 -50.03 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' HA ' HG22 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.68 -36.16 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.54 111.153 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -40.47 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.824 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -72.92 -52.09 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.094 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 60' ' ' PHE . 20.4 tt -72.19 147.35 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.23 111.133 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.42 131.52 41.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 61.51 110.87 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 88.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.46 -74.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.45 110.904 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.94 152.41 95.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 71.11 111.123 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.596 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 71.32 112.337 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.1 p -174.7 148.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 90' ' ' LEU . 44.6 m-85 -128.99 134.32 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.91 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.75 116.52 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 74.02 111.079 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.65 109.52 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 62.05 111.102 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 89' ' ' ILE . 34.4 p90 -113.44 141.17 47.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.877 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -91.74 124.43 35.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 60.34 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.45 174.37 7.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.902 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.11 147.32 36.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.901 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -148.28 164.59 33.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.935 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -119.82 50.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 42.3 111.129 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 81' ' ' ASN . 8.7 t -77.26 -40.92 42.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.175 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 80' ' ' THR . 28.4 t-20 -78.71 -35.7 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.62 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 63.31 110.88 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.47 -79.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 64.31 112.506 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 72.43 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 61.13 112.363 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.49 149.38 41.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.88 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -113.19 134.57 54.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.21 122.42 12.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.965 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.36 138.01 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 72.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 3.2 mp -119.21 148.98 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 61.43 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 71' ' ' TYR . 5.8 tp -124.92 119.9 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.927 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.7 mt -109.06 125.52 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.112 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.8 138.77 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.823 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.86 115.31 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.925 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -151.9 79.37 6.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 53.2 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.24 22.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 65.34 112.356 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.46 -21.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.845 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -104.0 13.67 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.811 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -103.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 34.45 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -145.2 159.94 47.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.8 -38.17 8.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 75.41 112.355 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.604 ' O ' HD13 ' A' ' 105' ' ' LEU . 2.5 mtm180 -68.09 -44.81 75.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.87 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 99' ' ' ALA . 8.0 t -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.15 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -58.01 -48.29 80.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.898 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -38.86 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 101' ' ' ARG . 3.0 mp -55.06 -36.26 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.89 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.05 -42.23 89.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -38.61 58.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.828 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 -24.41 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.906 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.755 ' OG ' HG21 ' A' ' 14' ' ' VAL . 3.3 m -101.7 -19.95 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 60.04 110.857 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.2 mtm180 -63.2 -39.38 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.19 90.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.53 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.08 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.17 -22.28 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.94 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -53.11 -55.62 32.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 73.42 111.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 64.43 112.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.41 -48.05 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.929 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -110.71 62.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.157 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -85.46 122.7 29.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.13 -41.08 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 50.01 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.04 135.43 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 62.04 110.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.438 ' HB3' HD11 ' A' ' 123' ' ' ILE . 2.9 mp0 -64.22 96.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.887 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.41 114.85 4.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.478 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 139' ' ' LYS . 3.7 mp -131.49 138.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 62.12 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -105.48 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.603 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.77 132.68 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 65.44 111.097 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -100.78 155.91 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.867 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.84 -163.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.891 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.01 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.081 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -21.36 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.865 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.603 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -99.37 18.18 56.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 52.13 112.528 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 130' ' ' GLY . 7.7 mt -133.57 20.42 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 75.41 110.919 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.24 107.38 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.884 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 60.53 110.93 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.76 -37.76 85.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.896 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -67.1 -43.26 82.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.519 HG23 HG21 ' A' ' 89' ' ' ILE . 47.9 mm -63.45 -47.17 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 65.42 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 50.53 110.84 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -66.1 -36.64 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.746 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.3 OUTLIER -67.92 -48.49 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.43 110.889 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.78 -37.84 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 45.14 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -61.31 -35.37 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 52.54 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.3 t -88.01 -26.39 22.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.1 110.85 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 56.28 26.41 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 61.34 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 31.5 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.774 0.321 . . . . 72.23 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.82 84.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 54.31 111.087 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.7 mmt -95.64 156.84 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t -165.24 93.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.851 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.65 -30.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 44.13 112.48 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.599 HG21 ' CB ' ' A' ' 109' ' ' SER . 4.4 p -50.61 118.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 64.25 111.113 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.95 137.55 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.84 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.2 p -76.99 128.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.148 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 160.74 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 31.13 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.25 -42.94 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 53.12 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.32 -34.43 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.89 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -71.67 -40.34 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG22 HD11 ' A' ' 116' ' ' LEU . 61.5 t -63.48 -50.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -44.36 85.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.15 85.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.079 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.29 -41.05 77.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.91 -46.42 84.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.875 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.11 -36.87 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 88' ' ' LEU . 6.9 tp -60.12 -36.24 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.892 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.8 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.887 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -98.82 20.74 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 62.33 46.67 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -48.18 24.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.849 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.51 -79.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.844 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER 177.2 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.889 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.38 136.8 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.904 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.539 HG12 HD22 ' A' ' 27' ' ' LEU . 7.1 p -128.02 126.01 65.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 51.2 111.138 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.677 HD13 HD11 ' A' ' 64' ' ' ILE . 12.0 mt -102.98 129.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.126 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -125.87 151.15 47.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 71.34 110.835 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -131.96 164.03 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.841 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.632 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.6 mt -85.85 126.25 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.116 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.7 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -110.59 127.86 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.23 111.158 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.05 15.66 8.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.857 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.654 ' CG ' HD11 ' A' ' 105' ' ' LEU . 36.1 mt-30 48.62 33.12 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -146.3 -40.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.55 110.86 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -123.25 127.42 48.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 52.02 110.833 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 14' ' ' VAL . 22.4 mm -81.18 131.55 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.25 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.91 165.33 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.105 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.34 138.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.45 111.12 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 -49.24 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.913 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -161.64 112.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -95.6 147.8 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 65.04 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.38 -64.67 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.476 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 39.25 45.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 74.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 63.83 54.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.81 -38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.47 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 115.79 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 42.51 111.079 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.88 178.25 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -42.6 82.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.896 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -41.55 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.858 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -74.47 -31.0 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.52 110.92 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.01 -45.87 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.59 -44.13 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 53.1 111.158 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.63 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.11 -51.1 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 63.1 111.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 HD13 ' A' ' 36' ' ' ILE . 40.1 mm -72.51 124.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.145 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 165.99 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.81 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 98.2 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 70.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.88 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.48 154.3 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 73.4 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 112.36 3.06 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 75.51 112.345 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.9 139.51 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.604 ' HD2' HD11 ' A' ' 90' ' ' LEU . 55.7 p90 -128.85 131.67 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.945 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 93' ' ' TRP . . . -113.63 127.2 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 60.12 111.15 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -106.95 110.87 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.02 111.055 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.61 ' HE1' HD11 ' A' ' 91' ' ' ILE . 5.3 p90 -116.26 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.848 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.66 129.35 41.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.22 165.3 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 70.34 110.881 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -120.29 135.42 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.912 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -153.22 169.99 21.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.872 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -105.82 60.88 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 73.11 111.145 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -77.37 -49.76 14.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.163 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.79 -35.51 51.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 71.55 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.878 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.58 -78.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 75.51 112.487 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.83 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.721 2.281 . . . . 65.5 112.385 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.71 149.4 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 61.54 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -134.05 140.58 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 123.02 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.915 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -90.76 131.77 36.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 54.54 110.906 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.66 HD13 ' C ' ' A' ' 88' ' ' LEU . 1.6 mm -119.9 148.73 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 62.41 111.096 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 73' ' ' ALA . 6.1 tp -118.39 119.92 36.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 61.15 110.903 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.61 HD11 ' HE1' ' A' ' 74' ' ' PHE . 4.0 mp -117.37 127.37 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.03 111.118 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.72 136.63 46.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.462 ' NE1' HD12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -123.85 117.25 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.887 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.64 151.38 0.54 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 62.23 110.914 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 131.83 22.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 72.44 112.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.92 -36.63 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.901 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.66 13.79 29.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 60.21 110.846 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.88 -89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 73.41 112.499 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.588 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -128.54 160.24 63.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.713 . . . . 73.33 111.088 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.79 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 75.05 112.34 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -68.23 -38.84 82.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.4 110.854 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.588 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 26.5 p -62.8 -45.83 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.129 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -48.34 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.857 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -30.6 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 62.44 110.844 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 ' CG ' ' A' ' 42' ' ' GLN . 9.8 mt -66.97 -31.06 71.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.32 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.58 -48.82 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.15 110.829 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 t -56.52 -40.34 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.599 ' CB ' HG21 ' A' ' 14' ' ' VAL . 23.4 p -75.28 -26.26 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 64.34 110.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -63.07 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.887 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.83 -37.16 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.812 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.54 -29.04 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -23.36 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 64.04 110.934 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.47 -55.62 27.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 74.22 111.121 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.69 -33.08 17.56 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 73.04 112.349 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.644 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.47 -42.35 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 53.32 110.912 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -112.49 65.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 64.41 111.113 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.49 122.52 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 70.13 110.936 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.33 -41.73 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 71.52 112.507 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.13 151.89 43.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 74.4 110.846 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -100.53 127.7 46.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 62.33 110.898 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -110.78 127.07 8.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 64.25 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.71 138.63 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 71.23 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.73 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 130' ' ' GLY . . . -147.52 138.94 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 53.42 111.123 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.69 153.91 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.03 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.32 -161.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 55.52 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.87 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.22 111.126 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -23.63 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.84 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.483 ' CA ' ' HB3' ' A' ' 125' ' ' ALA . . . -116.14 29.2 7.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 61.32 112.487 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 130' ' ' GLY . 19.2 mt -147.48 18.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 73.11 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.47 96.06 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -52.18 -39.79 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.844 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -67.61 -31.79 72.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.898 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.58 -47.48 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.32 -37.58 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 63.32 111.137 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.7 p -67.08 -43.06 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -34.3 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.88 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -67.26 -48.93 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.906 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.574 ' CG2' HD11 ' A' ' 89' ' ' ILE . 11.7 p -68.17 -37.28 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -61.0 -34.83 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.905 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.6 t -86.65 -35.41 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.13 110.839 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.7 t30 54.25 61.94 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 65.12 110.847 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 53.22 110.868 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.767 0.318 . . . . 74.22 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.83 -75.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 43.44 111.064 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.9 mtt -102.64 105.1 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.14 110.918 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -74.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.859 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.91 32.22 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 32.54 112.433 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 39' ' ' ILE . 10.0 p -51.35 136.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 74.04 111.119 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.81 140.76 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.848 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.754 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -74.16 126.0 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 72.32 111.109 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.21 154.73 27.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -34.09 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.885 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.4 -41.77 80.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.3 m -65.19 -44.39 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 116' ' ' LEU . 22.2 t -58.64 -52.32 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 64.42 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 m -60.01 -45.17 93.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 62.43 111.157 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.59 76.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.55 -48.4 64.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.53 -35.85 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -48.33 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.709 HD11 ' CA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -55.58 -45.47 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.937 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.3 ptm180 -66.53 -24.43 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.52 17.79 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.901 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 62.12 46.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.928 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -74.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.1 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -77.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.842 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.87 -65.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.915 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CA ' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -144.9 153.45 41.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.912 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.626 HG12 HD13 ' A' ' 27' ' ' LEU . 7.1 p -145.17 124.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 25.12 111.124 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.28 135.84 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 73.44 111.079 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.611 ' HG2' HG12 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -136.25 156.07 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.889 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.71 167.96 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.875 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.4 mt -85.7 121.0 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.161 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 46' ' ' ALA . 45.8 t -103.23 130.7 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.131 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.13 16.11 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.84 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 48.47 31.44 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -142.13 -41.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -126.05 126.71 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -81.98 131.23 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.179 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.62 159.12 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.25 111.125 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 37' ' ' MET . 27.2 m -74.78 138.5 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.097 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -108.64 -41.18 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.894 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -161.19 101.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.22 111.183 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 tt -96.62 147.83 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.78 -172.52 24.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 64.2 112.481 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.92 58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 72.44 110.861 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 58.13 27.32 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.88 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.06 -39.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 65.12 112.531 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 115.95 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 61.52 111.079 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.12 161.12 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 63.15 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -69.39 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.7 -46.76 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -67.86 -37.14 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -59.2 -51.56 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.86 -36.1 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.13 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.12 -51.03 13.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 ' H ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -63.35 141.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.02 111.124 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' H ' HD13 ' A' ' 64' ' ' ILE . 12.5 m-20 -116.49 -172.11 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.862 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -128.44 86.09 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.11 110.891 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -173.86 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.898 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 m -88.46 154.44 51.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 63.24 111.155 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.81 115.27 4.02 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 71.45 112.319 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 t -124.73 148.38 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -126.13 129.96 50.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.901 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.607 ' HB1' ' CE1' ' A' ' 74' ' ' PHE . . . -116.26 126.23 53.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 73.11 111.098 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.78 113.8 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.653 ' CE2' HD13 ' A' ' 91' ' ' ILE . 6.1 m-85 -111.25 126.75 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.926 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -91.96 118.8 31.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 52.33 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -121.87 105.65 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.85 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.49 119.81 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.91 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.73 176.0 12.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 73.32 110.914 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -91.58 44.9 1.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.12 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -78.18 -39.11 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.55 111.163 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -78.58 -37.58 42.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.914 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.17 -55.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.44 110.885 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -125.18 -159.8 10.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 53.35 112.528 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 73.2 112.379 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 176.46 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.863 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -140.57 134.58 30.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 55.42 110.881 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -132.35 121.75 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -94.3 130.46 40.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.4 110.875 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.86 148.91 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.112 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.37 119.62 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' CE2' ' A' ' 74' ' ' PHE . 4.0 mp -117.22 127.11 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.01 111.112 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.41 121.76 42.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.829 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.601 ' CH2' HD23 ' A' ' 131' ' ' LEU . 8.7 m95 -103.31 113.29 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 65.13 110.88 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 t30 176.71 141.5 0.23 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.729 . . . . 72.13 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.41 23.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 75.43 112.331 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -21.23 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 52.22 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.83 14.24 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.841 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.69 -96.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 64.05 112.503 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -125.38 159.86 58.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 35.43 111.048 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.71 -46.72 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 70.11 112.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.587 ' O ' HD13 ' A' ' 105' ' ' LEU . 4.1 ptp180 -67.96 -32.61 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.0 p -72.2 -46.48 56.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.132 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 -35.11 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.89 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.58 -45.97 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.4 mp -55.15 -30.03 58.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.956 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.51 -35.54 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -53.03 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.84 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -52.35 -42.1 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.816 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.5 t -79.29 -24.84 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -39.39 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 53.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.1 -43.32 95.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 -22.86 44.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.675 HD23 HD23 ' A' ' 116' ' ' LEU . 5.4 mt -83.71 -21.27 32.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.33 110.873 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -56.7 -55.39 43.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 73.25 111.116 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.72 -35.7 12.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 61.41 112.343 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 16' ' ' VAL . 26.3 tp -66.37 -46.01 78.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.22 110.902 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 48.5 p -100.85 62.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.72 122.65 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.2 -24.66 29.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 72.41 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -81.68 137.39 35.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 75.42 110.922 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -78.16 103.79 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.69 101.66 2.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.669 -0.776 . . . . 72.33 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 139' ' ' LYS . 3.6 pt -124.64 138.62 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 71.52 111.138 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.18 122.65 46.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.23 127.39 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.76 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 63.71 -164.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.867 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.84 11.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m -58.93 -21.91 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.578 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -86.77 -18.23 58.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 54.43 112.472 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' CH2' ' A' ' 93' ' ' TRP . 7.2 mt -98.25 18.41 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 55.53 110.953 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -71.29 95.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.865 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.31 -42.79 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.893 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.57 -34.2 70.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.875 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.18 -40.04 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.93 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.33 -47.19 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.111 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 m -64.07 -38.23 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.69 -35.94 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.849 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -67.87 -48.15 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.889 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -37.99 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.11 111.131 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.09 -35.71 80.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.03 110.915 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 m -69.0 -34.36 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 64.01 110.846 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 51.83 30.24 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.913 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mtp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.77 0.319 . . . . 63.21 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.84 -73.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.068 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -73.51 133.72 43.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.893 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.19 -43.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.911 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.53 -32.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 75.5 112.479 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.785 HG21 ' HB2' ' A' ' 109' ' ' SER . 5.5 p -50.94 121.44 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 71.42 111.132 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.08 138.65 30.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 116' ' ' LEU . 9.9 p -73.4 129.68 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.113 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 157.53 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 63.11 111.072 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.97 -36.89 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.868 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.38 -44.18 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 50.4 t -61.94 -45.38 93.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.882 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 116' ' ' LEU . 21.4 t -59.42 -44.03 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.137 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.7 m -63.32 -46.88 84.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 70.2 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.02 -43.74 86.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 72.44 111.101 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD13 ' CG2' ' A' ' 117' ' ' THR . 10.1 mt -68.99 -32.47 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.76 -46.3 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 62.21 110.917 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.53 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.897 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -65.56 -34.61 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.54 110.936 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.591 HH21 HG22 ' A' ' 117' ' ' THR . 28.2 mtt180 -62.99 -24.54 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.839 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 11.16 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 33.2 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.91 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 p -65.85 -94.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 31.04 110.871 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -143.78 144.12 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.22 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.775 HG23 HD13 ' A' ' 27' ' ' LEU . 26.0 t -130.47 117.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.24 111.126 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.527 HG23 ' HB2' ' A' ' 72' ' ' ALA . 5.9 mt -102.98 130.22 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.3 156.04 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.885 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.59 168.61 18.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' HG2' ' A' ' 69' ' ' PRO . 22.0 mt -85.67 127.19 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.147 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.718 HG21 ' HB3' ' A' ' 46' ' ' ALA . 63.9 t -108.55 128.08 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 62.55 111.152 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.0 16.49 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 48.76 31.23 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 64.1 110.932 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -141.66 -41.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.936 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.36 126.87 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.25 110.837 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.712 HG21 ' OH ' ' A' ' 71' ' ' TYR . 68.2 mt -80.44 131.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.42 111.177 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.29 154.34 49.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 63.52 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.29 138.2 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.53 111.11 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -102.38 -42.44 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 72.15 110.943 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.562 ' OG1' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m -162.78 108.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.163 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.568 HG13 HG22 ' A' ' 35' ' ' VAL . 11.2 tt -100.43 133.36 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 54.11 111.135 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.57 -151.88 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 72.02 112.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -179.63 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.4 110.931 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -148.09 -41.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.6 86.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.462 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.691 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -71.58 135.5 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 74.35 111.118 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.47 150.65 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.23 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -46.99 82.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.47 -35.4 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.856 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' ALA . 1.6 m-85 -57.83 -51.59 68.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.85 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.72 -32.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 51.41 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.562 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -85.01 -49.72 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 65.02 111.112 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.402 HD11 HD13 ' A' ' 36' ' ' ILE . 54.0 mt -73.26 124.32 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.21 111.147 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.72 172.11 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 51.44 110.849 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -111.85 86.58 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -179.23 -67.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.862 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.9 m -82.62 154.44 68.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 71.42 111.11 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.8 124.28 10.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 53.33 112.368 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.33 139.14 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.712 ' OH ' HG21 ' A' ' 45' ' ' ILE . 21.0 p90 -130.14 140.81 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.21 110.956 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -124.87 136.42 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.136 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.59 120.03 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 70.03 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.46 130.91 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.25 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 121.34 43.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.874 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -120.95 115.43 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.877 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.05 130.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -153.18 162.09 41.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 65.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -86.69 62.8 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 75.3 111.162 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.7 p -77.83 -49.99 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -78.0 -36.46 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 178.71 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.54 110.908 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 179.61 -80.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 71.51 112.46 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 68.79 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.691 2.261 . . . . 43.41 112.347 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 149.3 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 74.44 110.868 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.19 142.71 29.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 139.76 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.896 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.636 HD21 HD23 ' A' ' 27' ' ' LEU . 3.8 mp -108.59 134.94 50.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -123.36 149.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.125 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 71' ' ' TYR . 6.2 tp -119.0 119.44 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 55.31 110.966 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.53 127.35 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.122 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 138.54 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 62.1 110.833 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -117.54 113.92 22.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.915 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 176.08 144.26 0.24 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 74.54 110.862 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 98' ' ' GLY . 53.7 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 65.03 112.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.89 -21.47 66.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.19 14.48 24.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.889 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 95' ' ' PRO . . . -61.32 -103.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 64.21 112.514 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.73 160.34 42.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 62.34 111.125 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.77 -39.48 6.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 44.15 112.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.77 -37.07 81.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.03 110.831 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.582 HG23 ' N ' ' A' ' 69' ' ' PRO . 99.0 m -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 63.53 111.099 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -41.0 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.919 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.1 mtt -69.2 -47.55 64.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.866 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.08 -31.9 61.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.13 -33.97 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.925 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -91.95 -40.09 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 50.55 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -42.54 99.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.11 110.837 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.785 ' HB2' HG21 ' A' ' 14' ' ' VAL . 27.4 t -79.98 -25.7 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 61.22 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -56.04 -39.28 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.921 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.85 95.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 54.13 110.844 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -24.25 43.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 70.35 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.68 -22.78 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 52.5 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.29 -55.34 38.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 42.41 111.141 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.74 -34.96 13.6 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 65.31 112.372 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -66.45 -39.43 88.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.944 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.628 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.4 p -130.37 63.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.155 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.38 135.41 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.9 2.28 23.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.19 158.11 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 74.33 110.887 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -100.35 121.57 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.917 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.57 120.43 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 63.02 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.451 HD13 ' HD3' ' A' ' 139' ' ' LYS . 3.5 mp -131.49 120.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.21 111.158 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -84.79 136.63 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.84 128.07 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.079 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -97.59 161.86 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.04 -163.83 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 62.1 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.79 -26.21 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 33.34 111.067 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -20.34 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 63.32 110.856 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.684 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -86.68 9.09 72.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 71.12 112.5 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 130' ' ' GLY . 31.8 mt -137.54 18.44 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 64.31 110.871 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.08 96.09 5.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.883 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -54.24 -40.14 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.52 -32.94 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.922 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -40.63 80.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.407 ' O ' HG12 ' A' ' 140' ' ' VAL . 67.2 mt -67.56 -47.16 81.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -37.94 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.876 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.42 -38.1 77.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 74.05 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HD3' HD13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -66.25 -48.55 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.895 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.107 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -35.2 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.9 m -80.22 -33.26 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.13 110.846 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 52.15 30.49 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.791 0.329 . . . . 73.4 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.04 -175.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.113 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtm 62.5 165.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -174.47 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.849 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.6 -33.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.505 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.2 p -51.11 120.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 75.23 111.115 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.99 139.52 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.841 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.051 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -73.23 126.09 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.23 111.097 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -84.26 160.75 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.32 111.131 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -28.45 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.12 110.833 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 9.9 pt-20 -57.38 -44.84 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.901 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.23 -42.96 96.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 64.43 110.889 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 116' ' ' LEU . 21.8 t -58.59 -48.37 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.129 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.3 m -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.11 111.085 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 55.14 111.107 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.72 -39.92 84.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 55.24 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -45.9 86.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -71.53 -38.05 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD11 ' C ' ' A' ' 33' ' ' ARG . 12.8 tp -57.41 -44.4 84.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.911 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -63.71 -24.08 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.837 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.22 19.05 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 54.42 110.887 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.1 46.62 6.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.64 -43.57 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.907 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.92 -76.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.543 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER 179.86 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 61.51 110.872 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 28.6 p90 -145.33 155.38 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 50' ' ' ILE . 21.6 t -136.73 127.53 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 44.24 111.108 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.721 HD11 ' CE2' ' A' ' 60' ' ' PHE . 44.3 mt -105.51 122.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.089 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -110.27 147.07 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.32 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 68' ' ' VAL . 25.9 t60 -128.37 148.28 50.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.806 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.687 HD12 ' HG2' ' A' ' 69' ' ' PRO . 20.6 mt -85.21 119.89 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.168 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.78 132.84 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.136 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.29 24.5 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 51.13 110.83 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.642 ' HB2' HD21 ' A' ' 105' ' ' LEU . 9.6 pt20 39.43 40.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.968 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -149.23 -40.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.3 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.51 126.8 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.833 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 66.0 mt -84.21 131.09 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 61.32 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 154.2 47.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.3 111.105 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.21 136.41 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 72.22 111.113 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -47.19 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.947 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' HB1' ' A' ' 63' ' ' ALA . 96.0 m -161.37 109.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.13 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.604 HG13 HG22 ' A' ' 35' ' ' VAL . 19.4 tt -96.7 147.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 111.147 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.88 -178.79 30.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 51.24 112.467 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.93 122.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 62.23 110.933 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 33.62 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 72.15 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.96 74.34 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.568 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.13 163.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 75.14 111.058 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.26 150.73 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -41.76 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.868 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.72 -36.97 85.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.818 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -46.47 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HD11 ' A' ' 36' ' ' ILE . 28.8 t80 -59.35 -48.46 81.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.0 mm -67.33 -41.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 72.1 111.13 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.94 -38.7 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.04 110.871 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HB1' ' OG1' ' A' ' 49' ' ' THR . . . -72.94 -55.47 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.33 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 61' ' ' ILE . 11.9 tt -66.87 142.18 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.129 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.13 169.41 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 62.4 110.852 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -115.85 82.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.41 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 38' ' ' HIS . 12.7 m -80.02 153.12 74.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.45 111.098 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.687 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.73 100.72 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 75.12 112.356 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -113.23 140.79 47.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.93 129.61 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.905 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.28 116.92 29.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.4 111.154 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.489 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -105.48 110.41 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.109 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -111.39 130.35 55.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.883 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.7 122.23 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.45 110.864 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.17 111.31 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.888 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.88 120.24 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.865 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -153.4 144.01 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.761 HG23 ' C ' ' A' ' 83' ' ' GLY . 7.8 m -87.82 49.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 73.01 111.136 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 p -80.39 -42.79 22.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 73.15 111.178 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.78 -40.79 97.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 168.22 -46.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.761 ' C ' HG23 ' A' ' 79' ' ' THR . . . -121.93 177.4 16.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 65.04 112.49 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 74.32 112.379 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.08 152.98 26.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.864 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -134.69 134.56 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.918 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.591 ' HG2' HG23 ' A' ' 140' ' ' VAL . 2.1 ttmt -137.33 129.15 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 64.44 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -99.84 132.03 45.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 70.14 110.939 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.96 148.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.12 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.36 118.9 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 44.12 110.95 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.24 130.52 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.092 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -101.35 128.21 47.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 54.21 110.861 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.648 ' CZ2' HD11 ' A' ' 131' ' ' LEU . 2.0 t90 -113.92 114.2 25.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.908 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.05 153.35 0.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 74.24 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.74 21.91 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.246 . . . . 62.45 112.344 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.08 -40.6 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.14 13.9 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.82 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.73 -90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 54.14 112.482 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -129.01 159.95 66.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 72.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.551 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.8 Cg_endo -69.73 -47.02 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 72.22 112.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -67.91 -39.43 83.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.562 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 31.9 p -66.11 -38.88 89.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 53.14 111.118 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -68.1 -48.25 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.9 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.24 67.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.882 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 42' ' ' GLN . 6.7 mt -54.98 -29.87 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.82 -47.51 71.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -45.14 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.849 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.7 m -56.19 -25.28 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.3 110.883 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -22.55 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.852 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -56.21 -39.35 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.02 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -43.65 92.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -22.9 44.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.43 111.098 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.691 HD23 HD23 ' A' ' 116' ' ' LEU . 7.6 mt -83.57 -19.47 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 62.24 110.916 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -58.9 -55.43 46.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.23 111.107 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.48 12.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 44.35 112.36 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.051 HD22 HG21 ' A' ' 16' ' ' VAL . 20.9 tp -67.84 -47.72 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 53.53 110.906 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 28.8 p -101.78 50.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 122.59 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 106.47 -42.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 71.13 112.476 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.56 158.12 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 74.45 110.899 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -104.23 140.35 37.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.921 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.01 112.01 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 52.22 112.432 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.477 HG21 ' CE ' ' A' ' 139' ' ' LYS . 7.0 pt -114.92 134.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 65.43 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.99 121.72 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.924 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.503 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.29 133.38 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.25 111.129 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.7 155.83 16.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 61.13 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.06 -163.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.1 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.15 111.061 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -23.02 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.52 110.892 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.505 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -109.78 25.4 17.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 32.22 112.469 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.648 HD11 ' CZ2' ' A' ' 93' ' ' TRP . 21.8 mt -144.08 23.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 74.41 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.03 105.84 18.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 73.15 110.885 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -52.1 -45.53 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.892 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.69 -32.14 67.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -41.04 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.901 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.52 -47.14 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 53.4 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -62.03 -40.56 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.83 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.84 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.477 ' CE ' HG21 ' A' ' 123' ' ' ILE . 4.9 tppt? -64.42 -48.67 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.887 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.591 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.1 p -68.03 -37.81 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.136 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -65.0 -34.19 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.874 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -83.86 -30.9 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 40.98 40.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.01 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 73.15 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.46 147.17 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.838 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.8 p -73.32 122.92 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 62.42 111.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 160.75 31.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 52.22 111.102 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -56.62 -39.65 74.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.26 -41.48 79.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.9 -45.09 83.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.51 110.87 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.892 HG22 HD11 ' A' ' 116' ' ' LEU . 46.4 t -59.59 -39.86 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.104 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -70.48 -40.98 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.145 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.19 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 53.14 111.054 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.4 pp -69.18 -38.58 78.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.918 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.561 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.9 t30 -57.62 -46.99 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.6 -38.01 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 35' ' ' VAL . 2.5 tp -57.9 -36.07 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -62.74 -24.73 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.859 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 18.4 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.88 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 46.81 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.896 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.29 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 64.41 110.933 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.78 -77.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -174.45 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.802 ' HA ' HD21 ' A' ' 27' ' ' LEU . 35.8 p90 -144.37 154.86 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.95 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.857 HG12 HD22 ' A' ' 27' ' ' LEU . 10.0 p -131.01 129.76 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 63.23 111.084 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.8 HG21 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -114.59 123.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.158 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.83 156.1 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.844 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -132.15 166.81 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.22 110.872 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 69' ' ' PRO . 21.7 mt -85.72 128.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 73.31 111.11 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.712 HG21 ' HB3' ' A' ' 46' ' ' ALA . 23.6 t -112.4 128.11 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.14 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.04 16.46 8.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.34 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.53 ' CG ' HD11 ' A' ' 105' ' ' LEU . 38.4 mt-30 48.84 31.99 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.895 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.13 -41.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.92 126.9 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.849 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.489 HD11 ' OG ' ' A' ' 109' ' ' SER . 60.9 mt -82.88 131.6 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 75.01 111.13 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.98 156.85 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 52.1 111.072 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.27 138.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 65.24 111.131 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -105.4 -43.7 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.921 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 m -161.91 122.42 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 tt -98.65 146.9 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.146 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.19 -148.2 17.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 64.44 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.53 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 72.13 110.838 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -173.8 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.78 70.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 45.42 112.499 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.15 158.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 44.35 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.4 151.1 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 60.04 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.62 -33.9 76.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.68 -47.36 72.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.848 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.75 -36.74 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.907 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.99 -49.49 75.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.5 mm -71.58 -38.94 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 60.34 111.139 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.26 -40.55 86.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 62.04 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -53.23 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 51.22 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 HG21 ' A' ' 36' ' ' ILE . 41.9 mm -66.22 143.72 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.31 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.19 111.1 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 61.34 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -66.85 89.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 41.24 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.19 -72.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.3 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.18 154.39 95.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.693 . . . . 70.44 111.192 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.659 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.79 116.04 4.38 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.676 2.251 . . . . 72.03 112.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.9 m -132.58 155.85 47.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.873 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 90' ' ' LEU . 15.7 m-85 -128.95 130.3 46.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.91 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.27 123.74 40.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 61.14 111.069 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . . . -107.14 131.61 53.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 61.25 111.103 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -124.13 127.38 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.82 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -97.35 124.11 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 62.04 110.819 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -135.74 132.98 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 51.43 110.905 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.341 . . . . 74.41 110.925 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -132.02 134.65 45.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 62.52 110.889 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 129.61 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.909 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -108.6 137.81 45.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 62.44 110.937 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.1 mp -114.98 148.9 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.123 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -122.93 119.84 31.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.959 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.441 HG21 ' O ' ' A' ' 130' ' ' GLY . 5.6 mt -113.54 122.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t -101.16 138.51 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 41.34 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.601 ' HH2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -99.84 123.53 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.895 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -173.49 85.12 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 55.31 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.648 2.232 . . . . 73.42 112.353 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.11 -24.44 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -99.09 13.47 32.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.874 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.27 -111.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 74.22 112.475 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -126.82 159.94 61.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 63.21 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.74 -47.87 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.4 112.322 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -64.21 -35.59 81.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.844 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.777 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.6 p -63.94 -45.48 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 50.11 111.18 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -36.09 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.907 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.34 -46.82 59.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.897 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.53 HD11 ' CG ' ' A' ' 42' ' ' GLN . 3.1 mt -55.11 -30.05 58.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 64.23 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.17 -42.99 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -35.35 62.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.856 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 t -67.39 -25.94 66.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 65.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -99.99 -25.24 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.31 110.867 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -39.33 76.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.12 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -42.74 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.871 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.09 -23.03 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 mt -83.63 -22.06 32.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 54.41 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.84 -55.34 42.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 62.03 111.124 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.269 . . . . 74.33 112.329 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 21' ' ' VAL . 1.6 mm? -66.38 -47.74 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.898 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.5 p -96.21 62.54 2.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.153 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.12 122.6 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 18.66 41.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 74.42 112.468 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -129.34 131.2 46.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 73.33 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -68.23 104.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.93 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -97.29 117.43 5.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 72.11 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.42 138.58 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.11 111.107 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.85 116.85 30.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.591 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.15 128.48 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 52.21 111.132 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.98 160.05 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.54 -164.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.54 -26.48 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 61.33 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -24.63 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 51.43 110.859 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -93.87 -23.17 23.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.442 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD11 ' HH2' ' A' ' 93' ' ' TRP . 7.4 mt -105.97 24.61 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.11 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.99 97.2 4.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.876 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -51.8 -38.64 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.905 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.54 -36.9 81.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 61.4 110.843 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -37.53 80.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 140' ' ' VAL . 79.0 mt -68.27 -46.98 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 63.24 111.145 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.77 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.64 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.847 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -67.68 -48.7 65.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.858 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.44 111.12 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -65.49 -33.74 76.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 73.05 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 t -84.35 -34.0 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.818 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.87 55.58 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.911 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.86 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' VAL . 5.1 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.866 0.365 . . . . 64.52 111.103 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.66 152.73 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.687 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.35 122.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 51.24 111.096 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 160.72 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.118 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -55.26 -35.26 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.48 -45.08 85.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.72 -44.05 94.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.858 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 116' ' ' LEU . 21.8 t -58.7 -44.3 89.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.54 111.094 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -66.27 -43.42 86.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.54 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.16 -39.64 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.42 110.945 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -58.15 -45.91 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 60.11 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -37.13 70.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.05 110.806 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.019 HD23 HD21 ' A' ' 88' ' ' LEU . 6.7 tp -58.62 -42.9 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.944 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' CB ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.37 -23.85 67.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.908 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.24 20.62 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 mttt 62.53 46.62 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.854 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -57.62 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.34 -76.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -76.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 72.04 110.889 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD11 ' A' ' 27' ' ' LEU . 47.8 p90 -145.53 155.3 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.949 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.611 HG13 HD13 ' A' ' 27' ' ' LEU . 27.2 m -131.94 128.83 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.108 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 72' ' ' ALA . 11.3 mt -108.05 135.27 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 52.22 111.118 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.31 156.11 49.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.877 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -131.71 168.03 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.896 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.68 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.7 mt -85.74 124.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.118 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 46' ' ' ALA . 43.5 t -107.99 130.46 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 53.13 111.142 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.23 16.12 8.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 48.55 31.77 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.04 110.865 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -143.25 -41.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.98 126.74 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.856 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -81.19 131.62 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 50.11 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.765 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.88 160.35 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.11 111.094 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.41 138.23 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 64.23 111.111 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -108.27 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -162.99 121.89 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.51 111.132 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.557 HD12 ' HG2' ' A' ' 52' ' ' GLU . 21.7 pt -98.38 147.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.122 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -67.13 -58.76 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 63.23 112.546 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG2' HD12 ' A' ' 50' ' ' ILE . 17.0 mt-10 64.61 84.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 72.43 110.903 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.22 18.74 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.863 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.25 76.1 1.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 51.23 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' A' ' 59' ' ' GLN . . . -49.0 166.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 62.52 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.94 156.11 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -32.49 73.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -68.01 -47.4 68.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.05 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.486 ' CD ' ' HB1' ' A' ' 55' ' ' ALA . 13.5 pt20 -74.51 -34.98 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.919 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 64' ' ' ILE . 7.1 t80 -64.39 -48.54 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.2 mm -71.38 -43.23 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 64.34 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.17 -38.15 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.41 110.91 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -55.14 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.15 111.116 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 60' ' ' PHE . 4.1 tt -67.24 143.46 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.45 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -145.91 99.74 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.867 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 103.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -179.6 -71.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.87 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.513 HG23 ' SG ' ' A' ' 70' ' ' CYS . 17.1 m -78.09 154.19 79.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 65.14 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 109.18 2.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 73.32 112.356 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.513 ' SG ' HG23 ' A' ' 68' ' ' VAL . 34.8 m -126.61 157.94 37.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 90' ' ' LEU . 12.7 m-85 -129.19 129.85 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.936 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -123.83 129.46 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.558 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.7 130.12 54.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 72.51 111.11 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 88' ' ' LEU . 38.4 t80 -122.0 127.22 50.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.888 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.41 123.4 41.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -122.17 166.89 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 61.02 110.871 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.871 -179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 74.23 110.852 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.94 134.66 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.04 129.88 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.019 HD21 HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -100.45 133.9 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.03 110.878 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.541 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.84 148.68 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.117 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -120.61 119.69 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.32 110.887 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.09 122.25 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.136 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 p -101.37 137.65 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.858 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.415 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.5 m0 -99.82 115.39 29.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.95 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.95 88.72 1.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 71.13 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.42 23.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 73.32 112.361 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -22.67 52.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.85 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -101.82 13.65 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.858 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.49 -110.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 53.1 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -132.48 159.99 70.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 62.1 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.0 Cg_endo -69.73 -40.98 4.72 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 64.22 112.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -68.11 -32.6 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.02 110.869 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 99' ' ' ALA . 25.9 p -68.53 -46.23 70.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.147 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.4 -38.22 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.917 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -48.0 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.846 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.08 -31.01 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 65.52 110.958 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -59.13 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.929 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -33.07 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 33.31 110.838 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 t -67.27 -25.41 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.882 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -101.5 -22.65 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -39.37 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -41.93 97.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.861 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.12 -23.02 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 54.44 111.13 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.4 -25.42 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.24 -55.45 31.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 44.22 111.11 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.72 -32.18 19.25 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.69 2.26 . . . . 55.41 112.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.687 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -66.45 -47.99 71.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.938 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.1 p -103.12 63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.4 111.13 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.43 122.63 29.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.875 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.91 18.43 17.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 32.41 112.488 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -130.51 148.83 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.32 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 128.01 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.746 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -100.24 117.61 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 40.22 112.453 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 122' ' ' GLY . 6.9 mm -128.44 120.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 64.52 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.14 115.76 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.871 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.643 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -149.03 136.1 19.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.094 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -102.06 155.08 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 42.34 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.82 -162.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 64.53 110.868 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -25.97 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.53 111.096 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -21.39 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.01 110.855 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.643 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -98.15 17.47 58.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.48 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 130' ' ' GLY . 17.8 mt -141.4 25.58 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 73.14 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -77.72 115.72 17.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.905 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.67 -49.22 78.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -33.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.8 -40.32 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.888 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.453 HG23 HG13 ' A' ' 89' ' ' ILE . 49.0 mm -68.24 -47.08 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.11 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 m -62.58 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -69.56 -36.73 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -48.38 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.843 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.79 -37.83 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.118 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -65.86 -31.56 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 m -80.75 -40.51 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.872 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.1 t30 61.02 40.65 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 65.41 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.879 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 109' ' ' SER . 9.4 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.347 . . . . 71.33 111.157 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.88 137.93 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 51.33 110.854 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.425 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.3 p -73.32 122.18 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 73.3 111.085 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.26 158.21 27.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.48 -32.38 49.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 62.21 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.904 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.58 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.21 110.868 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 HD11 ' A' ' 116' ' ' LEU . 22.0 t -58.7 -51.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.117 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -63.48 -41.03 98.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.126 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.06 -45.15 87.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.087 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.07 -40.41 78.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -57.81 -45.97 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 -40.06 70.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.829 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.614 HD13 HG23 ' A' ' 35' ' ' VAL . 48.5 tp -55.4 -44.19 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.744 ' HB3' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.58 -24.66 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 53.23 110.885 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.41 20.46 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.37 46.68 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -66.79 -59.11 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.843 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -78.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 51.14 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 178.72 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 70.45 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.578 ' OH ' ' HB1' ' A' ' 72' ' ' ALA . 2.1 t80 -138.67 138.47 37.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.03 110.89 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 HD13 ' A' ' 27' ' ' LEU . 64.1 t -130.65 115.29 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 35.23 111.138 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.9 HD13 HD11 ' A' ' 64' ' ' ILE . 86.1 mt -110.98 137.07 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 156.33 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.04 110.881 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -135.5 161.5 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.783 HD12 ' HG2' ' A' ' 69' ' ' PRO . 56.9 mt -85.84 127.68 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.151 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 46' ' ' ALA . 21.6 t -111.05 135.3 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.08 23.89 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.828 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HB2' HD11 ' A' ' 105' ' ' LEU . 16.9 pt20 39.23 41.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 43.11 110.919 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -152.58 -40.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 52.13 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.25 126.92 46.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 52.13 110.859 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.23 131.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 71.43 111.152 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -131.39 160.05 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 63.03 111.112 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.71 137.04 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 74.22 111.086 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.1 -48.83 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -161.28 109.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.3 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -98.57 133.98 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.12 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.01 -178.15 31.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 62.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -179.34 70.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 74.11 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 51.77 73.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 63.51 110.867 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.63 -27.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 63.35 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.29 112.9 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 71.14 111.088 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.66 161.44 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.863 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -69.46 -36.96 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -46.77 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.85 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.01 83.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.03 -45.77 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -70.14 -40.66 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -40.56 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.46 -54.32 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.066 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.9 HD11 HD13 ' A' ' 36' ' ' ILE . 61.9 mt -66.91 146.1 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.119 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.1 110.45 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.89 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 101.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 179.52 -74.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 70.23 110.865 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.81 151.94 61.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 63.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.783 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.2 Cg_endo -69.78 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 44.44 112.33 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.1 p -107.56 156.3 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.903 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 13.5 m-85 -121.66 132.67 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.942 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB1' ' OH ' ' A' ' 34' ' ' TYR . . . -119.24 118.02 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 75.33 111.072 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.14 130.59 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -117.29 126.71 53.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.28 116.71 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -128.67 175.33 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.887 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 65.12 110.908 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.326 . . . . 74.14 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 134.69 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.84 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -129.04 126.46 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.907 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -107.48 135.65 48.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 88' ' ' LEU . 4.0 mm -114.87 148.26 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.102 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.7 OUTLIER -130.21 119.29 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.54 110.93 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.48 125.04 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.34 111.108 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.1 138.35 38.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 62.22 110.837 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.486 ' HZ2' HD21 ' A' ' 131' ' ' LEU . 3.5 m0 -106.06 115.62 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -161.05 87.35 1.69 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.663 0.744 . . . . 61.32 110.911 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 132.77 24.13 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.265 . . . . 73.31 112.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -23.27 51.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.879 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 m -101.16 13.57 34.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.887 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -134.96 159.57 71.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 41.14 111.08 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 75.15 112.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -69.05 -33.03 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.918 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 99' ' ' ALA . 20.4 p -73.84 -47.23 39.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 63.43 111.141 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -34.93 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 70.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -71.39 -47.99 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.891 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 42' ' ' GLN . 20.6 mt -62.76 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.54 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.22 -41.66 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 64.25 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 t -74.12 -41.51 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 54.43 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.62 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 64.33 110.819 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.692 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.9 t -96.9 -24.79 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.876 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -61.64 -40.48 95.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 65.53 110.905 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -42.83 97.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.805 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.96 -22.84 45.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 71' ' ' TYR . 1.4 mt -83.0 -24.26 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.01 110.89 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.91 -55.44 35.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 62.15 111.162 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.82 -33.17 16.91 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.677 2.252 . . . . 62.24 112.346 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -48.02 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.91 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 90' ' ' LEU . 43.8 p -111.08 59.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 63.41 111.073 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -85.32 122.45 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.29 -42.66 1.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 65.21 112.463 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.1 151.12 44.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 72.35 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.71 105.41 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.35 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.07 113.8 4.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 71.22 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 139' ' ' LYS . 2.9 mp -131.5 136.37 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 74.1 111.093 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -107.57 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.86 133.87 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.084 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -97.97 157.22 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.88 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.84 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.19 12.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 62.52 111.07 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.04 110.892 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.78 18.78 39.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.725 . . . . 75.21 112.526 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 130' ' ' GLY . 36.3 mt -140.06 25.96 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.326 . . . . 64.12 110.936 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.85 108.38 14.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 61.52 110.875 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -51.81 -45.76 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.45 -31.86 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 70.1 110.889 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.65 -42.46 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.43 110.877 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.9 -47.26 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -40.85 95.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.02 110.84 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.56 -36.56 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 70.02 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.612 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -63.87 -48.69 75.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 54.12 110.912 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 87' ' ' LYS . 7.4 p -67.8 -37.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 53.15 111.155 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -35.7 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.14 110.877 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.6 t -80.63 -29.67 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.845 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.31 26.61 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.842 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.853 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 109' ' ' SER . 2.4 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 72.34 111.108 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.3 143.28 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 45' ' ' ILE . 25.7 m -79.82 124.64 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 73.23 111.133 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.72 154.71 40.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 51.24 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.52 -36.98 62.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 74.1 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.34 -36.98 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 62.01 110.933 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 35.3 t -68.44 -45.27 73.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.821 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.821 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.48 -47.61 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 72.45 111.128 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -65.11 -42.38 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.106 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.15 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 32.34 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' CG2' ' A' ' 117' ' ' THR . 7.5 mt -68.76 -40.3 79.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.44 110.894 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.98 -45.98 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.83 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.68 -38.9 70.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 64.52 110.838 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.976 HD22 HG22 ' A' ' 35' ' ' VAL . 13.6 tp -56.48 -44.34 80.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 73.54 110.944 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.657 ' CA ' HD12 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -63.52 -24.3 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.86 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 20.16 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 62.04 46.64 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -73.2 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.905 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -75.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.844 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.675 ' C ' HD11 ' A' ' 27' ' ' LEU . 12.5 ttm180 -179.01 -70.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.85 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . 17.8 p90 -140.12 150.64 44.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.921 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.976 HG22 HD22 ' A' ' 27' ' ' LEU . 27.8 m -133.1 123.45 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 72.43 111.144 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -110.07 132.25 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.01 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.7 mtm -135.34 155.75 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.88 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -130.8 165.37 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 62.23 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.71 HD13 HD22 ' A' ' 105' ' ' LEU . 21.5 mt -85.9 125.19 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.13 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' ALA . 92.3 t -109.5 128.61 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.12 15.64 8.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.817 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.04 31.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 62.01 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -144.74 -41.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.13 126.99 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.43 110.819 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 61.7 mt -81.7 131.41 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 52.45 111.148 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -127.61 156.64 41.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.064 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.29 138.38 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -46.42 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.23 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -161.42 111.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 74.02 111.09 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.766 HG13 HG12 ' A' ' 35' ' ' VAL . 19.1 tt -97.17 142.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.153 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.17 -179.22 28.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 73.32 112.552 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.88 49.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 74.14 110.867 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 59.61 20.26 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.45 5.58 3.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 71.21 112.501 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.92 130.26 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.4 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.71 175.28 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -69.41 -39.24 78.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -46.95 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 72.23 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.45 -39.79 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.634 ' HE2' HD22 ' A' ' 131' ' ' LEU . 8.7 t80 -59.65 -50.92 72.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.81 -41.98 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.12 84.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.862 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.04 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.081 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.551 HD12 ' CZ3' ' A' ' 93' ' ' TRP . 1.0 OUTLIER -71.02 125.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 74.3 111.102 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -118.47 129.61 55.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 52.05 110.85 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.89 91.96 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 179.93 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.35 110.83 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.63 154.54 71.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 74.34 111.15 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.613 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 130.4 19.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.729 2.286 . . . . 73.24 112.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -140.77 142.44 34.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 51.45 110.913 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -117.75 130.15 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.932 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.74 122.8 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -106.15 136.9 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.115 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 88' ' ' LEU . 14.2 t80 -131.11 130.41 43.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -94.02 133.36 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -139.76 132.46 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.888 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.902 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.819 0.342 . . . . 62.3 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -134.66 135.17 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.533 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -132.7 141.79 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.895 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -108.56 137.68 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 60.45 110.936 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.0 149.01 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 tp -117.18 119.55 35.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.52 110.907 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.25 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.162 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.07 127.63 47.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.828 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -112.59 114.52 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.03 110.893 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 p30 177.38 156.31 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 71.41 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.36 19.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 75.3 112.364 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.97 -41.06 91.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.84 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 14.27 24.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 23.24 110.882 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.21 -95.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 73.15 112.532 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -112.23 159.47 33.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 71.13 111.124 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.78 -39.97 5.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 70.32 112.333 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.04 -43.2 83.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.505 HG23 ' CD ' ' A' ' 69' ' ' PRO . 91.3 m -67.3 -37.83 84.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.53 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -67.77 -46.32 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -41.84 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 61.44 110.934 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 39' ' ' ILE . 13.1 mt -55.07 -29.86 58.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.882 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -59.04 -34.13 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 62.4 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -97.72 -29.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 61.24 110.843 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -26.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 65.53 110.836 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.665 ' HB2' HG21 ' A' ' 14' ' ' VAL . 8.4 t -99.07 -33.31 10.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.31 110.81 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -56.31 -39.38 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.01 -40.43 95.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 52.42 110.877 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.28 -23.96 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -25.83 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.36 -55.35 29.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 71.34 111.105 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.72 -33.05 17.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 52.41 112.353 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.5 -41.92 88.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.885 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 24' ' ' LEU . 71.5 p -130.8 70.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.31 111.105 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.26 122.43 28.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 132.47 -44.88 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 63.1 112.501 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.24 158.26 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.33 110.833 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.29 144.68 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . 0.737 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -112.49 126.87 7.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 75.44 112.524 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 122' ' ' GLY . 11.2 mm -128.3 120.27 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.25 111.12 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.56 116.67 33.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 63.33 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.646 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.82 132.8 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 40.11 111.077 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.93 155.56 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.84 -163.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.883 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.09 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.24 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -22.61 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -102.92 19.86 45.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.479 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 130' ' ' GLY . 25.0 mt -133.09 24.5 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 72.23 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.28 105.71 16.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.35 110.885 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -59.53 -42.96 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.896 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.66 -34.87 69.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 74.33 110.849 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.56 -40.41 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.03 -47.1 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.161 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m -63.39 -38.83 92.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 60.42 110.803 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -37.61 78.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.855 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -66.07 -48.32 71.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.533 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.8 p -67.78 -37.7 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 64.42 111.181 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -69.9 -34.92 74.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.859 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.4 m -69.43 -37.76 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.851 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 53.69 34.05 18.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.932 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 45' ' ' ILE . 46.5 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.847 0.356 . . . . 72.14 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.78 136.54 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.839 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -83.09 132.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 74.55 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.33 149.72 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -35.67 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -58.64 -44.76 90.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.77 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 116' ' ' LEU . 40.7 t -58.59 -50.49 78.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 75.12 111.117 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -63.31 -41.19 98.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.121 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.18 83.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 51.13 111.091 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 ' CG2' ' A' ' 117' ' ' THR . 26.4 mt -67.3 -39.63 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.55 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.88 86.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.71 -37.01 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.874 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -58.73 -43.16 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 52.33 110.929 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -23.81 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 20.11 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 52.2 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.45 46.7 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.892 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.39 -66.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.88 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.52 -75.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.865 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.67 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.657 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 10.0 p90 -144.83 142.28 29.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.955 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 27' ' ' LEU . 7.5 p -129.03 124.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.115 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -109.21 135.74 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.174 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.14 154.61 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.892 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -128.55 168.58 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.797 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' CG ' ' A' ' 69' ' ' PRO . 69.5 mt -96.37 113.33 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.02 144.93 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 62.24 111.141 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 58.48 20.73 7.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 74.3 110.901 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.71 ' HB2' HD21 ' A' ' 105' ' ' LEU . 4.2 pt20 39.02 41.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.912 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -157.2 -38.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -116.06 150.86 36.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 60.53 110.841 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 14' ' ' VAL . 56.9 mt -103.18 130.85 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 72.5 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.1 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.42 111.088 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.19 138.36 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -106.09 -42.27 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -161.2 109.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.8 146.1 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.62 -174.18 24.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.474 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.12 54.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 75.31 110.862 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 61.89 18.16 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.889 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -34.34 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 73.01 112.507 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.41 130.73 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.45 111.141 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.69 172.09 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 62.34 110.848 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.57 -41.1 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.854 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -57.59 -46.85 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.94 -36.0 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 44.43 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -62.82 -50.91 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 70.12 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.09 -41.83 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 111.092 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -60.46 -40.44 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 -53.78 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.12 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.11 124.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.23 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.85 122.74 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.85 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 91.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.945 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.72 -74.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.9 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.02 154.43 84.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 74.43 111.143 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.583 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.7 126.62 13.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.221 . . . . 54.22 112.358 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.6 m -145.54 151.74 38.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 73.22 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.589 ' HB3' HD11 ' A' ' 90' ' ' LEU . 52.2 m-85 -129.1 130.06 46.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.903 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.92 125.83 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.095 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.92 119.89 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.139 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -116.62 127.46 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.02 127.19 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.868 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -135.79 125.31 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.903 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.855 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 73.1 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -111.29 134.48 52.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 133.64 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -108.46 134.81 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.959 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.85 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 74.25 111.113 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 71' ' ' TYR . 17.7 tp -120.88 119.81 33.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.916 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.45 122.53 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.102 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -114.07 138.83 49.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.833 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -91.36 115.38 27.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 72.51 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -148.08 78.62 9.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 74.24 110.865 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.59 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 71.13 112.303 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -58.21 -22.66 52.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.832 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.93 13.55 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.23 110.826 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -67.93 -106.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 41.22 112.495 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -138.96 160.41 62.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 65.43 111.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.77 -45.67 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.635 2.223 . . . . 64.34 112.334 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HD13 ' A' ' 105' ' ' LEU . 3.2 mmp_? -68.03 -44.51 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.824 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 77.8 p -63.34 -43.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 63.41 111.152 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -57.71 -46.38 84.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.91 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.31 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 42' ' ' GLN . 4.4 mp -55.45 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 65.04 110.897 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.25 -47.36 85.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -37.12 82.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.877 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -67.26 -34.74 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 61.44 110.864 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.514 ' OG ' HG11 ' A' ' 14' ' ' VAL . 42.4 t -84.02 -32.14 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.855 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -60.75 -39.39 88.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.882 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.68 -42.17 98.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.895 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.21 43.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 73.01 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.492 HD12 ' OG ' ' A' ' 109' ' ' SER . 0.3 OUTLIER -83.82 -22.9 31.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.949 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.76 -55.33 39.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 64.15 111.087 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.74 -34.52 14.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 74.41 112.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -44.59 82.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.69 ' CG2' HD13 ' A' ' 24' ' ' LEU . 33.4 p -120.17 65.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.42 111.138 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.22 122.44 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 71.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.86 -46.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 43.11 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.1 149.57 46.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 65.51 110.839 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.22 107.26 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.67 121.88 7.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 31.51 112.515 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 139' ' ' LYS . 3.8 mp -131.37 138.58 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 72.43 111.122 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.73 116.9 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.35 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 132.03 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -97.92 163.18 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.6 -26.25 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.086 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.68 -23.71 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.882 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.65 38.04 3.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.35 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 pp -175.73 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.31 110.892 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.0 117.54 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -52.11 -43.44 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.876 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.02 -34.88 78.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 52.43 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.68 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.43 110.892 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.14 -47.2 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.14 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 64.7 m -62.89 -40.15 96.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 71.05 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -65.99 -36.79 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' A' ' 123' ' ' ILE . 0.9 OUTLIER -68.01 -48.4 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.892 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -37.89 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 72.34 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -71.24 -35.41 71.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 m -75.72 -32.23 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 40.43 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 54.61 27.23 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 65.31 110.892 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.853 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 108' ' ' SER . 5.2 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.854 0.359 . . . . 44.04 111.16 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -143.36 145.21 32.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 63.21 110.878 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 45' ' ' ILE . 26.8 m -73.31 127.87 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.158 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.82 157.59 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 51.44 111.044 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -36.0 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.93 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.97 -33.96 76.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -71.03 -45.24 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 70.51 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.054 HG13 HD11 ' A' ' 116' ' ' LEU . 21.5 t -62.4 -45.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 55.43 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.5 m -65.85 -46.66 77.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 72.15 111.133 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.99 82.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 23.34 111.055 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 117' ' ' THR . 13.7 mt -69.18 -42.79 75.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 75.55 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.21 -45.83 86.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 44.13 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -69.21 -42.4 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.43 110.875 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -58.39 -34.82 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.952 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HA ' HD11 ' A' ' 88' ' ' LEU . 6.9 ttt85 -63.37 -25.31 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.863 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 16.64 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 51.43 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt 61.98 46.67 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -20.97 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 53.42 110.895 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.01 -80.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.866 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 177.39 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.639 ' HA ' HD11 ' A' ' 27' ' ' LEU . 13.2 p90 -145.24 155.29 43.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.932 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.89 HG12 HD13 ' A' ' 27' ' ' LEU . 6.1 p -142.5 120.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 53.21 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.627 HD11 ' CE2' ' A' ' 60' ' ' PHE . 17.8 mt -102.18 132.33 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.141 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.63 154.23 48.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.88 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -133.94 162.62 31.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 69' ' ' PRO . 22.6 mt -85.88 122.21 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 65.31 111.089 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -105.08 129.26 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.51 111.121 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.92 15.72 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.859 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.573 ' HG2' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER 48.75 32.13 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.25 110.895 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -41.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.928 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.74 126.91 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 89.6 mt -80.81 131.43 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.136 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.76 158.87 38.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.41 111.149 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.82 138.39 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.066 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.89 -49.57 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.5 m -161.46 104.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.05 111.167 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 tt -96.91 147.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.11 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.28 -175.26 25.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 30.12 112.472 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.53 66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 71.43 110.881 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 51.54 80.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.892 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.84 -18.88 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.481 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB3' ' HE2' ' A' ' 34' ' ' TYR . . . -68.12 120.67 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 62.32 111.089 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.63 174.89 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -68.54 -37.05 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.03 -46.85 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.88 -41.46 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.627 ' CE2' HD11 ' A' ' 36' ' ' ILE . 3.1 t80 -60.41 -51.62 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.47 -45.42 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 71.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.49 -40.14 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 51.43 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.6 pt -66.28 142.71 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.91 125.89 40.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 64.55 110.866 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.35 76.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.429 ' OD1' HG13 ' A' ' 68' ' ' VAL . 12.2 t-20 -179.36 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.899 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG13 ' OD1' ' A' ' 67' ' ' ASN . 16.3 m -79.62 154.64 76.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 43.43 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.667 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.78 119.51 6.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 51.33 112.32 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 t -132.91 140.67 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 61.54 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.1 130.08 46.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.967 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.27 129.35 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.22 111.108 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.72 114.05 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 64.55 110.844 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -84.6 130.82 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 64.33 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.45 170.17 16.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.88 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.864 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.828 0.347 . . . . 75.05 110.866 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.86 134.58 54.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.857 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.59 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.888 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 27' ' ' LEU . 5.8 mp -105.3 136.34 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.893 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.588 HD13 ' CG2' ' A' ' 136' ' ' ILE . 13.6 mt -115.0 148.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.23 121.18 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.921 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.3 129.86 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.099 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.21 128.98 47.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.59 ' HH2' HD23 ' A' ' 131' ' ' LEU . 25.5 m95 -110.56 114.76 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.943 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . 0.681 ' OD1' HG21 ' A' ' 102' ' ' THR . 1.5 t30 177.55 140.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 75.4 110.938 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.62 23.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.25 . . . . 65.12 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.34 -21.85 60.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.877 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.2 13.71 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.904 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.89 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 43.11 112.452 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -136.09 159.92 69.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 70.34 111.097 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.74 -38.38 7.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 72.2 112.366 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -66.84 -34.24 77.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.681 HG21 ' OD1' ' A' ' 94' ' ' ASN . 98.3 m -68.18 -45.97 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.178 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -38.84 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -48.12 52.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.855 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' HG2' ' A' ' 42' ' ' GLN . 32.8 mt -61.89 -34.42 76.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.16 -48.74 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.923 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -63.27 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB3' HG11 ' A' ' 14' ' ' VAL . 37.3 t -67.2 -42.49 84.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 50.51 110.845 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.0 p -71.5 -45.1 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 61.04 110.841 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.16 -39.47 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -40.53 89.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.857 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.17 -23.11 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.037 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -83.26 -26.08 31.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.92 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.62 -55.32 30.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 74.01 111.162 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.76 -31.75 19.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 72.14 112.335 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.054 HD11 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -48.04 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.926 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 24' ' ' LEU . 36.5 p -103.27 56.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 53.12 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.57 122.57 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 72.3 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.26 42.72 6.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.86 154.85 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 73.44 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -104.32 98.44 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.899 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.26 111.97 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 44.2 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.68 138.36 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 52.15 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.76 116.9 32.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.12 110.881 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.588 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.88 126.87 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.128 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -97.85 159.88 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.926 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.04 -164.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.858 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.76 -26.11 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.126 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -21.16 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 70.43 110.903 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -88.38 -13.22 63.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 23.21 112.467 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.59 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.5 mt -102.95 24.33 10.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 74.03 110.919 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 95.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.815 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -60.24 -38.25 82.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.61 -41.23 92.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 62.44 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.95 -41.14 87.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 71.41 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.588 ' CG2' HD13 ' A' ' 89' ' ' ILE . 31.2 mt -64.75 -47.36 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.097 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 p -63.29 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.901 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 73.15 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -67.75 -48.48 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 89' ' ' ILE . 28.7 m -67.89 -37.85 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.106 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.12 -33.32 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -86.95 -31.21 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.863 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 63.26 30.41 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 61.35 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 137.15 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.25 127.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 63.14 111.139 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 151.21 47.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.125 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -53.44 -36.97 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.854 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.54 -43.08 84.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 63.3 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.15 -41.64 90.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.846 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 HD21 ' A' ' 116' ' ' LEU . 33.6 t -59.31 -52.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.117 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.145 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.3 87.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 55.24 111.078 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.611 HD13 ' CG2' ' A' ' 117' ' ' THR . 61.5 mt -68.62 -40.45 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.88 -46.19 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.84 -37.46 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 54.44 110.881 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD22 HG12 ' A' ' 35' ' ' VAL . 1.5 tp -59.24 -38.0 78.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.23 -24.23 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 64.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -94.0 20.02 8.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 56.44 46.7 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -30.72 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 62.53 110.872 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.98 -76.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 54.4 110.852 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 -68.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.871 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.701 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 5.4 p90 -145.34 154.3 42.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 53.4 110.904 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.739 HG12 HD22 ' A' ' 27' ' ' LEU . 7.3 p -139.65 126.46 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.155 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.73 136.07 45.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 55.24 111.117 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.43 ' CE ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.86 156.15 49.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.875 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -134.06 166.38 22.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 71.41 110.867 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 69' ' ' PRO . 29.6 mt -85.79 125.73 40.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 46' ' ' ALA . 95.6 t -109.44 130.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 75.41 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.66 15.88 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.832 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 48.6 32.1 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -144.86 -41.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 55.43 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.97 126.81 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.31 110.853 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.74 131.54 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -128.82 160.98 30.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 61.42 111.125 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.67 138.24 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.42 111.121 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -106.0 -49.83 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.2 m -161.74 107.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 tt -96.59 147.7 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 72.45 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.7 -172.76 25.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 44.25 112.49 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -179.92 58.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 70.54 110.915 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 55.72 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.88 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.04 -28.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 63.3 112.499 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.701 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.93 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.309 . . . . 64.52 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' H ' ' NE2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -71.56 167.03 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.899 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.93 -32.63 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.13 110.941 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -47.42 84.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.85 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.428 ' NE2' ' H ' ' A' ' 56' ' ' ASN . 8.7 pt20 -69.95 -31.0 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.941 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 64' ' ' ILE . 5.7 t80 -65.44 -51.51 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.869 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -36.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.15 -39.85 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.858 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.65 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.22 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.2 pp -71.53 135.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.54 111.094 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.35 118.23 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.887 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 88.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 43.41 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -179.46 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.89 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.406 HG23 ' SG ' ' A' ' 70' ' ' CYS . 13.7 m -66.98 154.58 92.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 75.52 111.102 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.76 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 65.34 112.359 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 68' ' ' VAL . 31.6 m -139.66 153.97 47.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.913 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.635 ' HB3' HD11 ' A' ' 90' ' ' LEU . 37.3 m-85 -129.15 130.07 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 61.33 110.936 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.5 128.27 50.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 64.15 111.093 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.67 129.2 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 73.33 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.52 128.71 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.64 133.52 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 72.32 110.912 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -139.12 161.96 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.886 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.837 0.351 . . . . 72.12 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -119.39 134.52 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 128.67 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 138.2 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.93 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.63 149.05 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.144 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 71' ' ' TYR . 22.3 tp -122.97 118.9 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 61.13 110.968 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 136' ' ' ILE . 4.0 mp -117.58 119.39 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.3 111.115 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 t -101.31 138.71 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -93.42 115.26 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 70.12 110.841 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.13 85.73 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 71.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.86 24.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 72.25 112.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -58.01 -22.9 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.897 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 13.77 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 61.22 110.877 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.57 -111.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 61.42 112.482 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -124.5 159.37 58.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 72.04 111.081 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.79 -46.29 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 62.42 112.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -59.95 -42.53 94.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 64.11 110.842 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 99' ' ' ALA . 18.9 p -66.47 -38.91 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.122 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -62.88 -48.26 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -42.44 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 64.4 110.878 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.07 -29.91 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.951 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -58.96 -48.81 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.946 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 t -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.844 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 m -55.58 -26.1 41.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 44.44 110.834 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -95.47 -26.32 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.857 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -66.05 -39.37 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.879 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.05 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 55.14 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.74 -23.25 31.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 62.31 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.48 -55.38 38.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 74.44 111.114 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 -33.45 16.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 42.55 112.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.39 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.91 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.611 ' CG2' HD13 ' A' ' 24' ' ' LEU . 76.8 p -119.86 64.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -85.36 122.49 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.49 -50.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 70.12 112.5 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.16 144.52 50.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 63.13 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.42 101.24 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.966 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.02 104.07 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 41.31 112.463 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.754 HD13 ' HD2' ' A' ' 139' ' ' LYS . 3.8 mp -131.67 128.78 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 73.15 111.123 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -82.55 133.72 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 44.24 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.91 127.98 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 51.53 111.094 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -108.14 158.4 17.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.929 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.59 -164.5 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.61 -26.58 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.116 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -107.05 18.84 36.03 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 30.24 112.5 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 130' ' ' GLY . 54.6 mt -136.3 23.88 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 65.55 110.909 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.12 106.79 19.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -51.82 -38.07 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.832 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 -34.04 68.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.21 -42.29 80.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.923 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 91' ' ' ILE . 47.2 mm -65.29 -47.2 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.123 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -64.19 -37.57 87.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 63.33 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.4 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 71.11 110.871 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.754 ' HD2' HD13 ' A' ' 123' ' ' ILE . 1.7 mmtm -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.31 110.88 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.9 p -63.55 -40.4 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -22.27 53.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 65.14 110.916 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -32.03 73.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.854 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.7 m120 54.81 33.16 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.853 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.828 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.4 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.856 0.36 . . . . 70.14 111.106 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.88 141.5 40.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.903 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.7 p -73.22 122.79 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 62.21 111.176 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.31 155.88 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.14 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -53.46 -36.94 62.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.84 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.87 -43.08 90.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -65.64 -43.7 88.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 70.34 110.899 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.885 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.66 -48.11 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 64.54 111.076 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -41.96 95.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.141 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.21 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.085 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.17 -39.9 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.927 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.02 -45.89 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.865 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.73 -38.69 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.62 -44.45 81.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.1 110.916 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -63.69 -24.33 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.854 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.25 20.13 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.869 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tttt 62.17 46.59 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.927 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -71.23 -68.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 62.14 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.98 -76.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 62.05 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.666 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 7.9 p90 -145.21 153.34 41.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.903 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 27' ' ' LEU . 7.3 p -141.15 123.82 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 63.42 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -107.44 136.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.14 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.76 155.88 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -129.37 163.59 25.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.847 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.2 mt -85.77 126.02 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.183 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 46' ' ' ALA . 60.2 t -110.63 127.72 67.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.114 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.0 15.82 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 52.22 110.801 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 48.96 32.18 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.928 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -145.09 -41.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.25 110.876 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.82 127.02 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 61.44 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 70.1 mt -82.32 131.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.23 111.101 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.16 150.63 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.42 111.1 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.26 138.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -107.18 -46.38 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 70.23 110.876 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -162.06 106.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.184 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.55 147.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 64.45 111.167 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.81 -171.77 25.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 45.43 112.534 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -179.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 60.74 19.72 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.65 13.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 61.22 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -94.33 111.11 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 60.35 111.088 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.93 162.41 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -69.53 -36.91 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -46.86 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.85 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.884 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.1 t80 -65.63 -45.71 82.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.878 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 64' ' ' ILE . 50.6 mm -71.31 -43.97 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 73.34 111.15 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.52 -40.51 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.915 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.57 -53.29 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.064 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 60' ' ' PHE . 11.3 tt -68.64 147.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 62.15 111.154 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -169.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.909 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.54 68.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.905 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.4 ' HB ' ' HD2' ' A' ' 69' ' ' PRO . 16.7 m -69.19 152.9 96.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 65.25 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.582 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 74.01 112.351 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.49 147.54 50.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 61.35 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -129.01 129.9 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -116.47 123.89 48.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 40.02 111.143 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.611 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.43 113.27 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -111.53 127.54 55.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -101.63 122.32 43.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 64.3 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -133.37 135.15 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 45.22 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 63.42 110.891 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 60.54 110.848 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.02 134.62 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.03 110.841 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.85 134.65 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -108.63 130.02 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 60.24 110.876 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.94 150.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.143 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.23 121.02 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 129.98 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.12 111.132 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.17 125.69 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.854 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -111.77 114.17 26.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.19 160.04 0.51 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.554 0.692 . . . . 73.34 110.911 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 63.01 112.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.93 -41.17 91.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.867 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.3 13.9 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.803 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.85 -93.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 64.13 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.645 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -115.55 156.64 45.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 71.53 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.4 Cg_endo -69.79 -36.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 71.45 112.338 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -45.47 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.0 t -68.09 -37.2 80.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.124 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -65.33 -48.2 73.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -39.89 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 51.22 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 39' ' ' ILE . 13.2 mt -55.03 -29.69 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 73.03 110.932 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -58.8 -48.86 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.957 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -78.58 -32.2 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 62.1 110.891 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -67.28 -22.07 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.81 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.618 ' O ' HD12 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -104.21 -25.66 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 45.03 110.847 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -40.8 97.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.84 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 60.24 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -22.9 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.32 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' SER . 0.4 OUTLIER -82.76 -26.51 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 64.42 110.951 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.67 -55.51 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 71.33 111.154 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.71 -31.23 21.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 64.11 112.358 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.32 -24.28 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.938 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.3 p -130.66 61.47 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -52.76 122.47 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.5 110.891 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 79.92 46.92 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 62.42 112.492 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.53 158.16 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.53 110.888 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.94 104.01 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.2 113.31 4.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.11 112.511 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.45 136.31 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 73.53 111.165 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -109.83 123.99 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.595 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.68 130.75 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.059 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -97.78 156.47 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 63.03 110.861 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.91 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.843 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 131' ' ' LEU . . . -52.58 -26.37 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.105 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 t -59.72 -23.25 63.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.859 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.595 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -104.98 29.76 11.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 73.02 112.497 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 128' ' ' ALA . 11.1 mt -142.07 20.62 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 71.03 110.933 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.44 96.2 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.884 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -55.7 -42.39 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 60.14 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -32.0 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -68.31 -42.08 79.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.59 -47.13 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 65.31 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 m -62.41 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.826 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -37.14 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.845 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -48.4 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.94 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.9 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.11 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -28.04 64.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.877 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t -83.08 -27.57 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.885 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 57.87 53.35 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.845 0.355 . . . . 75.34 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 136.79 54.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.803 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.55 122.46 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 143.79 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.116 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.3 -31.46 44.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.887 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.896 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.872 HG13 HD11 ' A' ' 116' ' ' LEU . 52.8 t -60.64 -48.34 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 55.31 111.139 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -64.55 -44.01 92.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.55 111.149 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.57 85.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 24.42 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.16 -42.02 76.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 63.35 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -46.02 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.86 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.58 -37.0 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.831 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 33' ' ' ARG . 57.7 tp -60.79 -35.17 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD21 ' A' ' 88' ' ' LEU . 1.4 ptm180 -62.77 -24.74 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 18.23 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.16 46.61 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.895 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.41 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.45 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -78.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 51.42 110.852 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 177.12 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 75.41 110.839 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -145.21 155.35 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.645 HG22 HG13 ' A' ' 50' ' ' ILE . 61.2 t -137.32 122.27 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.14 111.131 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -107.67 137.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.646 ' CE ' HD21 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -130.07 153.7 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 63.54 110.876 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -128.15 150.85 49.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 74.51 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.581 HD12 ' CG ' ' A' ' 69' ' ' PRO . 30.1 mt -84.97 117.72 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.106 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.48 134.04 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 60.4 111.149 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.7 24.0 6.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.843 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.688 ' CB ' HD11 ' A' ' 105' ' ' LEU . 16.4 pt20 39.46 40.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.917 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -151.1 -40.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.61 127.05 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.431 HD11 ' OG ' ' A' ' 109' ' ' SER . 65.8 mt -83.11 131.06 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.135 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.14 44.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.12 111.065 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.1 138.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 54.43 111.121 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 -56.44 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.926 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -158.89 106.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.115 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 35' ' ' VAL . 16.8 tt -96.93 145.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.082 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.61 -179.75 22.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 73.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -178.73 65.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 72.51 110.91 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 55.92 24.64 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.892 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.31 -36.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 61.23 112.458 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.5 141.33 20.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 72.24 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.36 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.926 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.48 -41.96 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.22 110.881 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -46.78 86.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -71.09 -31.28 67.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 64' ' ' ILE . 5.2 t80 -65.88 -47.97 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.21 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.1 mm -71.3 -43.25 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.04 111.142 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.59 -40.31 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.38 -53.92 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 60' ' ' PHE . 2.4 tt -68.28 147.37 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 64.03 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.08 -170.09 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.899 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -143.4 75.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 65.32 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.6 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 61.35 110.913 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.15 154.47 37.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 64.41 111.135 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.581 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 74.12 112.319 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.7 m -137.48 142.34 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.21 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 90' ' ' LEU . 84.1 m-85 -115.78 129.6 56.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.964 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.1 123.04 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 41.52 111.077 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.63 123.6 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 31.33 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.25 127.1 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -104.23 118.81 37.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.862 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -118.51 118.68 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.879 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.886 -179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 72.43 110.882 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -145.19 134.64 23.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 125.73 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.884 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' A' ' 28' ' ' ARG . 5.8 mp -101.05 128.83 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.917 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.532 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.34 148.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 72.21 111.094 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -121.08 118.96 31.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.904 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.4 mp -117.78 129.4 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.161 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.33 117.57 35.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.87 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -105.9 114.51 28.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -179.84 155.07 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 44.22 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 130.79 19.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 72.44 112.329 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.09 -41.23 90.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.12 110.879 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -109.0 14.07 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.842 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.35 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 74.42 112.488 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.2 158.87 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 64.31 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.2 Cg_endo -69.83 -36.74 10.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 74.23 112.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -69.23 -32.45 71.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' HD3' ' A' ' 69' ' ' PRO . 98.5 m -73.75 -47.23 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.32 111.109 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -48.07 49.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.35 110.889 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 42' ' ' GLN . 23.2 mt -56.3 -30.46 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.11 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.95 -33.85 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.955 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -32.97 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 73.04 110.851 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -42.64 83.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 61.24 110.873 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' HD11 ' A' ' 45' ' ' ILE . 9.2 t -83.85 -17.32 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.87 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.615 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -62.51 -38.99 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.859 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.87 -41.62 98.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.877 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.95 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.646 HD21 ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -83.77 -15.26 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.937 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -61.21 -55.53 42.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 71.14 111.134 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.5 Cg_endo -69.8 -34.08 15.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 65.14 112.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -70.58 -48.31 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.917 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 p -105.9 46.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 60.43 111.168 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -81.66 132.47 35.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 12.54 33.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 72.1 112.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.37 152.85 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 75.55 110.841 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -81.84 111.79 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.13 120.23 6.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 70.12 112.49 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.45 138.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 64.32 111.083 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -109.89 120.23 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 64.42 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.58 138.59 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -97.46 156.96 16.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 53.42 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.67 -161.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 64.24 110.854 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.13 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.12 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -60.2 -22.82 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -106.04 43.11 1.74 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 72.24 112.491 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 33.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 75.51 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.12 110.47 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.872 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -47.69 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.901 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.45 -34.46 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 72.21 110.841 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.58 -39.65 80.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 44.41 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 140' ' ' VAL . 48.0 mt -67.19 -47.03 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.161 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.3 m -64.81 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -37.56 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 62.13 110.888 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.61 -48.6 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -68.05 -37.79 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 70.21 111.13 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -63.24 -34.73 78.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 -37.64 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 62.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 60.08 33.0 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.6 mtt-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.886 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.776 0.322 . . . . 73.13 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.92 136.86 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.856 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.5 p -73.39 122.74 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 52.14 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 152.66 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.11 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -58.5 -28.45 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.9 -43.46 91.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 61.42 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 m -66.05 -42.74 89.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 40.14 110.911 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 116' ' ' LEU . 23.5 t -58.68 -52.15 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.23 111.161 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.13 111.143 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.64 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 32.21 111.092 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -69.08 -40.41 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.81 -46.33 84.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.04 -37.74 69.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.921 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 35' ' ' VAL . 3.4 tp -56.64 -43.98 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 64.31 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -24.13 67.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.46 20.15 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.02 46.68 6.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.913 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -72.66 -53.45 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.885 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -77.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 -63.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 73.23 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -142.56 146.16 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.23 110.909 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.816 HG12 HG23 ' A' ' 50' ' ' ILE . 19.7 m -133.65 124.18 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 61.45 111.136 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.971 HG21 HD11 ' A' ' 64' ' ' ILE . 8.4 mt -111.82 131.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mtm -131.78 156.18 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 54.53 110.823 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -138.22 167.48 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.643 HD12 ' CG ' ' A' ' 69' ' ' PRO . 28.8 mt -85.75 129.25 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 46' ' ' ALA . 57.7 t -112.93 128.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.132 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.85 15.86 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.666 ' CG ' HD21 ' A' ' 105' ' ' LEU . 30.3 mt-30 48.97 31.65 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.959 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -143.2 -41.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.65 127.11 45.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.839 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 16' ' ' VAL . 43.6 mt -81.44 131.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 73.51 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.783 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.09 165.56 21.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 51.41 111.104 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.08 138.34 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 43.02 111.118 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -106.97 -50.4 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.6 m -161.26 108.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.816 HG23 HG12 ' A' ' 35' ' ' VAL . 96.6 mt -107.95 142.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.53 111.137 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.27 -169.71 33.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 73.51 112.453 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -179.85 56.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 74.01 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 63.38 25.76 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.51 16.57 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -104.65 130.2 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 75.01 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.87 168.64 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 53.05 110.904 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -32.04 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.853 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -47.01 87.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.849 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -72.31 -31.15 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -63.4 -50.48 69.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.1 -38.92 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.102 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -40.64 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.897 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.99 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 53.51 111.074 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.971 HD11 HG21 ' A' ' 36' ' ' ILE . 41.1 mm -66.39 143.5 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.38 147.6 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -87.85 91.31 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.19 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.76 154.59 94.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 72.43 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.643 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.4 Cg_endo -69.78 123.37 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 74.0 112.353 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -154.92 145.05 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.865 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.435 ' OH ' HG21 ' A' ' 45' ' ' ILE . 20.0 p90 -128.92 139.01 52.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.891 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.29 120.09 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.055 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -107.0 113.24 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.094 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -116.49 140.57 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.56 124.97 35.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.835 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -124.38 174.74 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.15 110.888 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 65.44 110.892 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.82 0.343 . . . . 73.21 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -113.79 134.15 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -144.43 121.88 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.73 136.0 39.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.74 HG21 HD12 ' A' ' 136' ' ' ILE . 2.3 mp -116.48 148.77 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.13 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -126.32 120.29 29.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.958 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -107.96 118.91 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.25 111.095 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -101.19 138.56 38.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 53.32 110.848 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.29 115.54 29.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.875 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -157.53 80.38 3.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 74.11 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.64 23.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.738 2.292 . . . . 64.12 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.03 -23.12 53.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.02 13.37 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.853 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 -107.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 74.21 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.648 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -134.25 159.09 73.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 73.35 111.111 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.85 -47.81 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 54.33 112.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 105' ' ' LEU . 15.8 mtt180 -67.86 -44.17 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 63.13 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 42.9 p -62.54 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.119 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -58.46 -48.41 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.921 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -30.43 65.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 70.23 110.838 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 42' ' ' GLN . 1.4 mp -55.84 -48.78 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 61.31 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -33.89 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.948 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.4 p -79.2 -28.36 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 65.43 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.59 65.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.895 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 p -111.69 17.25 20.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.857 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.9 ptt180 -66.33 -44.32 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 53.42 110.835 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -66.44 -33.12 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.899 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.64 -31.35 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.54 111.099 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.49 -22.25 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 61.31 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.07 -55.46 27.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 72.44 111.136 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.72 -34.95 13.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 75.35 112.346 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -66.36 -32.36 73.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 63.41 110.931 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.7 p -106.77 46.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 41.52 111.17 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.39 122.49 29.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.12 -46.84 1.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 52.15 112.488 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -71.09 133.11 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.14 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.11 91.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.78 114.8 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 72.22 112.438 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.49 138.53 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 65.21 111.134 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.15 116.76 32.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.25 129.61 14.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.148 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.82 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.865 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.64 -163.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 55.23 110.848 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.33 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.163 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -23.27 62.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.13 110.87 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.655 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -83.36 -17.0 67.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 74.21 112.531 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.73 25.92 11.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 75.52 110.929 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -71.4 101.6 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.84 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -56.34 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.52 -35.93 70.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -67.49 -43.43 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.74 HD12 HG21 ' A' ' 89' ' ' ILE . 45.6 mm -63.09 -47.17 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 74.35 111.118 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.31 -35.52 80.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -69.47 -48.17 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.883 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -68.04 -38.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 73.01 111.112 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -21.76 55.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 61.51 29.99 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 41.51 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.852 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 105' ' ' LEU . 41.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.791 0.329 . . . . 43.33 111.161 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.92 137.05 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.871 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.0 p -74.47 123.66 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.3 111.086 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 149.37 50.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.106 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.47 -34.09 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 71.3 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.61 -40.08 82.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.843 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 m -66.85 -45.03 79.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.661 HG22 HD11 ' A' ' 116' ' ' LEU . 37.1 t -58.79 -49.31 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.169 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 62.43 111.153 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.59 86.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 62.21 111.092 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 117' ' ' THR . 10.7 mt -68.78 -41.32 78.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -45.98 85.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -37.0 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -60.52 -36.83 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.921 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.621 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.7 ptm180 -63.28 -24.56 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.902 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.94 20.38 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.31 46.54 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.852 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.09 -40.1 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -78.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.875 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.57 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 72.35 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.3 p90 -145.3 136.38 24.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.919 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -124.54 128.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 72' ' ' ALA . 5.6 mm -107.52 128.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.34 111.122 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 154.8 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -139.71 162.61 34.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.639 HD12 ' CG ' ' A' ' 69' ' ' PRO . 20.1 mt -85.83 127.4 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.091 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 46' ' ' ALA . 83.7 t -110.14 128.26 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 62.25 16.21 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.932 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 105' ' ' LEU . 8.5 mp0 48.66 31.7 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.954 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -40.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 62.32 110.903 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.01 127.23 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.893 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 16' ' ' VAL . 45.3 mt -80.58 131.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 54.44 111.158 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.37 165.71 23.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.24 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.36 138.57 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 54.04 111.167 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.58 -49.31 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -160.94 109.67 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.487 HD11 ' OE2' ' A' ' 52' ' ' GLU . 11.7 tt -95.61 147.74 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 35.13 111.093 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA2' ' HB3' ' A' ' 55' ' ' ALA . . . -87.26 -92.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 75.44 112.476 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 50' ' ' ILE . 3.9 mt-10 65.29 53.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 73.13 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 51.64 29.84 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.908 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.98 -32.62 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 44.35 112.531 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -99.04 131.97 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 34.41 111.124 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.08 173.37 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 55.44 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -69.89 -34.08 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.839 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.7 -47.87 81.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.77 -31.03 64.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.44 -48.82 73.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.51 -41.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 71.15 111.117 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.39 -40.17 85.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.866 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.05 -54.03 8.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.04 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 36' ' ' ILE . 34.0 mm -63.35 124.9 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.098 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.34 -170.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.31 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 66.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.23 -63.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 63.2 110.902 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -80.99 152.79 71.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 74.34 111.133 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.639 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 131.4 21.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 53.02 112.32 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.5 m -147.21 142.29 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.53 110.885 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -122.54 130.23 52.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.92 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.502 ' CB ' HD12 ' A' ' 36' ' ' ILE . . . -113.44 121.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 73.34 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.85 110.12 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.151 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -113.56 127.39 56.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.14 124.39 39.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.06 111.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 52.32 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 65.43 110.895 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.853 0.359 . . . . 73.15 110.851 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.21 134.59 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.874 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 121.81 32.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 60.33 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 28' ' ' ARG . 7.9 mp -90.93 132.84 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.913 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.737 HG21 HG23 ' A' ' 136' ' ' ILE . 3.5 mm -118.23 148.31 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 54.51 111.106 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -125.11 119.92 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.93 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.05 127.2 74.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.102 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 128.96 53.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 61.53 110.84 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.752 ' CZ3' HD21 ' A' ' 131' ' ' LEU . 2.5 t90 -111.62 114.78 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.899 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 178.33 129.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 74.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.89 24.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 61.24 112.355 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.98 -25.1 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.88 13.77 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.851 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.48 -98.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 54.25 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -128.25 159.66 66.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 75.03 111.058 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.72 -38.94 7.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 73.22 112.374 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -63.63 -45.24 91.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.872 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.4 t -70.52 -37.46 74.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 52.24 111.159 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -48.39 80.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.874 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -46.82 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.895 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 42' ' ' GLN . 26.2 mt -55.1 -30.53 59.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.939 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.04 -33.83 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.895 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -91.33 -30.75 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.873 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -67.19 -42.5 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 54.41 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.3 p -83.32 -20.61 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -61.66 -39.33 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.857 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.8 95.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.914 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.35 -23.6 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.098 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.82 -17.33 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 61.23 110.956 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -60.83 -55.47 44.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.651 0.739 . . . . 70.52 111.098 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 -36.09 11.5 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 75.14 112.362 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -68.67 -47.52 66.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.05 110.91 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 24' ' ' LEU . 23.7 p -111.43 49.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.15 111.166 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.26 138.92 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.963 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.88 10.11 57.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.79 -0.719 . . . . 55.22 112.477 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -123.78 120.08 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 74.21 110.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -51.94 103.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.25 119.53 6.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.34 112.471 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.38 138.59 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 73.24 111.172 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -107.01 124.11 49.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.546 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.44 129.34 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.093 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -97.84 156.94 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 43.55 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.07 -163.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.854 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.31 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.31 111.154 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -59.7 -23.49 63.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.603 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -104.64 28.82 13.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 55.34 112.487 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.752 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 78.5 mt -141.07 20.99 2.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.346 . . . . 75.34 110.922 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -85.92 96.04 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.832 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.34 -38.19 65.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -57.49 -33.02 67.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -41.88 81.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.737 HG23 HG21 ' A' ' 89' ' ' ILE . 79.0 mt -67.09 -47.08 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 72.01 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.4 p -62.57 -39.51 93.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 43.53 110.866 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -69.07 -37.12 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.43 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -48.35 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.899 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.83 -37.93 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 33.35 111.137 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.28 -34.21 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.916 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.73 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.82 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 53.24 42.41 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.816 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.663 ' CG2' HD22 ' A' ' 105' ' ' LEU . 42.8 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 61.3 111.125 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.81 137.25 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 64.04 110.89 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -73.14 127.81 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' ILE . . . -67.59 149.38 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.14 111.156 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.39 -36.96 62.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 73.33 110.821 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -36.88 71.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.887 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.78 -45.11 72.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.33 -51.9 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.35 111.132 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -62.4 -42.49 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.142 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -57.85 -42.96 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.069 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.15 -41.96 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 53.04 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -46.18 83.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 51.04 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.78 -37.13 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.617 HD13 HG13 ' A' ' 35' ' ' VAL . 2.6 tp -59.22 -36.78 76.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.623 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.3 ptm180 -62.93 -24.55 67.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 65.5 110.885 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -101.4 20.3 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 62.02 46.7 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.933 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -72.88 -38.54 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 54.41 110.898 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.55 -79.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' C ' HD11 ' A' ' 27' ' ' LEU . 1.3 tpt180 179.0 -67.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.86 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.75 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -143.72 144.65 31.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.953 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 50' ' ' ILE . 16.1 m -130.99 116.03 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.153 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -104.54 136.82 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.151 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.91 155.96 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.899 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.29 163.97 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.851 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.645 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.3 mt -87.01 129.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.112 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 46' ' ' ALA . 94.8 t -114.67 128.35 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.75 15.91 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.868 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.638 ' CG ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER 48.67 32.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.34 -40.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.896 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.7 127.32 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.884 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 57.9 mt -83.85 131.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 43.32 111.111 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -126.44 161.85 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 61.12 111.085 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.82 138.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.075 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -110.83 -57.19 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.633 HG21 ' HB1' ' A' ' 63' ' ' ALA . 48.6 p -149.36 99.32 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 71.53 111.157 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.726 HG13 HG12 ' A' ' 35' ' ' VAL . 19.0 tt -96.08 140.84 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 60.53 111.157 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.97 -171.83 22.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 65.43 112.487 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -158.82 -49.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.21 110.874 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 177.73 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.67 -15.99 1.08 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 62.3 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.75 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -66.59 95.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 72.12 111.12 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -71.49 177.57 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 43.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 61' ' ' ILE . 44.8 p90 -69.56 -29.09 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.873 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.07 -47.27 85.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.82 -31.79 68.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.39 -51.75 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.886 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 57' ' ' PHE . 1.4 tt -70.35 -35.51 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 55.24 111.175 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.633 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -75.29 -53.91 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 70.21 111.08 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.6 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.107 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -136.09 114.55 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.872 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 105.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.01 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG21 ' A' ' 102' ' ' THR . 2.8 t-20 179.91 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.947 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -81.59 154.7 71.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 63.14 111.151 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.71 110.58 2.58 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 75.34 112.37 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.9 m -130.27 151.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.92 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.85 130.03 46.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.915 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.28 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.45 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.54 115.31 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 51.12 111.125 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.47 127.25 55.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.943 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 119.66 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -133.09 130.63 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.844 -179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 73.34 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.34 134.56 49.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -132.7 133.84 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.887 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.623 HD21 ' CA ' ' A' ' 28' ' ' ARG . 5.6 mp -108.5 129.51 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.93 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 136' ' ' ILE . 3.4 mp -115.12 152.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.116 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.58 120.77 31.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 42.33 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD11 ' A' ' 136' ' ' ILE . 3.7 mp -117.01 128.97 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.2 111.175 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.7 t -130.03 139.15 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -106.56 115.22 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -151.81 90.33 3.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 72.14 110.949 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.65 23.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 64.14 112.377 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -57.89 -25.2 60.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 p -94.47 12.99 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.808 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -88.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 54.12 112.471 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.89 150.64 43.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 74.43 111.114 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.99 9.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.711 2.274 . . . . 70.4 112.327 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -67.84 -36.0 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' N ' ' A' ' 69' ' ' PRO . 97.3 m -68.05 -46.08 72.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 64.21 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.62 -39.17 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.925 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -48.26 49.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.838 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.663 HD22 ' CG2' ' A' ' 14' ' ' VAL . 25.7 mt -56.94 -29.94 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 52.23 110.909 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.58 -49.02 78.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.929 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -29.47 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 73.54 110.837 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.9 m -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 75.52 110.843 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.25 -23.49 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 114' ' ' VAL . 11.2 ttt180 -65.19 -39.49 92.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.892 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -62.13 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.91 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -22.85 44.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.04 111.119 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.43 -22.93 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.21 -55.55 38.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 51.34 111.103 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.78 -34.79 13.81 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 64.44 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.67 -41.13 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 54.31 110.891 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.4 p -101.6 61.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.135 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 125.24 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 70.33 110.933 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.02 53.23 19.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 45.02 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.61 158.23 38.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 73.33 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -102.43 82.9 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.03 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.36 116.51 4.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 52.23 112.465 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.45 132.53 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 63.13 111.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.82 116.86 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.81 142.79 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.122 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -97.65 155.99 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 64.2 -160.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.879 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.29 -26.02 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.44 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.5 m -59.88 -24.97 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.848 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.421 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.12 42.48 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 74.02 112.495 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.33 32.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 73.3 110.894 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -89.33 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.857 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.03 -47.67 64.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.926 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.48 -33.43 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 75.02 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.79 -40.59 79.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 89' ' ' ILE . 42.6 mm -67.05 -47.03 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.13 111.121 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -64.48 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.858 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -38.0 79.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 75.21 110.855 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -48.68 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.5 p -68.07 -37.85 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 63.21 111.132 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -71.56 -32.34 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.8 t -82.0 -31.19 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.864 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.83 47.23 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.856 0.36 . . . . 72.11 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 137.76 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.826 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.684 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.5 p -73.31 125.99 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.15 111.124 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.8 160.73 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 53.51 111.062 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.19 -39.98 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.9 -41.13 81.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -66.09 -44.91 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.932 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.64 -46.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.108 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -65.03 -42.38 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.0 -46.39 85.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 44.34 111.147 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 117' ' ' THR . 79.5 mt -67.69 -40.24 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.907 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.02 -45.81 86.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.12 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.72 -37.08 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD13 HG23 ' A' ' 35' ' ' VAL . 11.6 tp -57.98 -44.64 87.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.81 -24.16 67.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.884 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.66 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.858 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 46.63 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 64.44 110.915 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.896 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -76.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.841 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -179.94 -64.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.871 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.03 148.39 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 70.51 110.923 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.727 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -130.95 122.6 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.109 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.89 129.94 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.16 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -131.04 152.99 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.886 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -133.31 163.76 28.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 69' ' ' PRO . 57.7 mt -85.71 124.73 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 62.02 111.155 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 46' ' ' ALA . 96.7 t -114.06 139.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.108 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLN . 18.9 t0 56.64 23.22 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' ASP . 16.8 pt20 38.34 47.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.921 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -165.23 -38.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -122.96 127.07 48.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 41.54 110.833 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 16' ' ' VAL . 46.8 mt -82.11 131.17 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 74.12 111.139 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -125.32 165.32 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 70.25 111.083 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.01 135.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.25 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -50.61 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 m -160.66 105.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.45 111.139 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 HG13 ' A' ' 35' ' ' VAL . 20.4 tt -95.89 147.6 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.138 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.34 179.74 21.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.526 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.06 71.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 65.13 110.867 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 52.27 33.75 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.56 -39.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 41.34 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HB3' ' HE1' ' A' ' 34' ' ' TYR . . . -55.78 107.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 72.52 111.067 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -71.72 162.66 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.872 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.24 -46.54 89.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 54.01 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.76 -31.51 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 63.25 110.912 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.3 t80 -65.97 -46.53 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.915 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.8 mm -71.05 -44.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 63.13 111.122 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -59.41 -40.49 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.908 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.36 -53.22 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.11 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 60' ' ' PHE . 14.3 tt -68.85 146.9 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.176 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.48 118.05 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.868 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -69.35 90.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.961 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -179.33 -74.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -59.65 155.28 40.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 62.31 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.7 87.08 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 75.03 112.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 64' ' ' ILE . 17.9 p -109.96 156.12 20.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 50.13 110.854 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.515 ' HD2' HD21 ' A' ' 90' ' ' LEU . 59.0 m-85 -128.76 130.19 46.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.881 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.2 126.27 53.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 72.45 111.122 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.52 136.07 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -137.44 127.58 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.895 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.08 125.55 40.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 65.4 110.836 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -139.16 135.85 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.827 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.777 0.322 . . . . 71.45 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.53 134.61 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.851 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 134.19 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.878 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -108.81 133.0 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.43 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -114.84 160.52 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 60.04 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 71' ' ' TYR . 8.7 tt -135.54 125.98 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 64.32 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.04 129.8 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 61.41 111.094 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.41 138.36 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.832 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.429 ' CZ2' HD21 ' A' ' 131' ' ' LEU . 28.4 m0 -102.86 115.07 29.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.944 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.13 92.27 1.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 72.13 110.866 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 139.43 40.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 70.15 112.33 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.56 -22.93 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -102.53 13.64 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 61.54 110.865 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.53 -89.67 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 51.45 112.466 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.633 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -144.79 152.14 51.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 41.12 111.084 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.69 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 54.22 112.314 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -62.7 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.2 110.889 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.0 p -63.41 -45.84 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.5 111.177 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -57.79 -44.91 86.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -42.7 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.901 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.5 mp -55.04 -29.52 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -58.63 -49.14 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.928 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -26.59 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.2 110.861 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 t -67.35 -21.93 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 54.21 110.858 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.29 -19.38 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.86 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 73.35 110.835 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.14 -36.34 82.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 64.1 110.9 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.25 -22.97 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -25.98 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.02 -55.6 29.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 72.44 111.102 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.78 -30.45 22.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 62.44 112.374 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -66.26 -34.29 77.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.9 p -126.61 64.77 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 71.21 111.109 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.53 122.4 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.83 7.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 60.45 112.493 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.31 158.34 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 72.44 110.871 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.511 ' HB2' HG22 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -103.87 89.89 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.956 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.97 113.35 4.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 34.45 112.494 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.44 138.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 70.22 111.127 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.04 118.72 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.516 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.92 129.45 14.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 63.45 111.095 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -98.76 157.51 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.842 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.3 -163.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.32 110.84 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.21 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.14 111.157 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -23.31 63.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.569 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.71 16.38 43.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 34.41 112.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 130' ' ' GLY . 8.4 mt -130.01 23.69 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 74.33 110.896 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.31 95.97 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.844 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -52.07 -41.1 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.887 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.6 -31.8 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.71 -44.28 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.19 -47.17 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 72.4 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.1 p -62.81 -40.12 96.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 61.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -36.13 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.45 110.851 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -67.29 -48.39 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 65.2 110.883 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.99 -37.92 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -66.76 -28.4 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 61.03 110.939 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.8 t -88.25 -31.36 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 56.26 30.56 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 53.21 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.857 0.361 . . . . 71.15 111.112 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.62 33.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.846 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.71 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.4 p -73.39 122.28 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.182 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -79.07 156.13 28.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.085 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -53.48 -29.8 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 3.0 pt-20 -60.31 -41.85 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.912 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -45.13 80.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 64.53 110.862 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.934 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.69 -45.72 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 60.42 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -65.87 -43.12 89.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.098 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.36 87.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 55.52 111.11 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 37' ' ' MET . 11.0 mt -69.0 -41.19 78.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -45.99 84.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.907 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.63 -37.97 70.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.046 HD13 HG13 ' A' ' 35' ' ' VAL . 5.1 tp -59.01 -36.89 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -62.9 -24.6 67.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.86 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -96.86 17.6 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 62.12 46.87 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.921 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -32.65 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.886 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.69 -84.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 52.55 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -153.14 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 27' ' ' LEU . 33.5 p90 -144.57 155.68 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.905 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.046 HG13 HD13 ' A' ' 27' ' ' LEU . 31.4 m -126.87 124.47 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.54 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 64' ' ' ILE . 18.2 mt -110.34 124.25 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.13 111.131 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -127.21 155.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.89 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -137.22 168.27 19.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 64.42 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.1 mt -85.72 126.44 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.123 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 46' ' ' ALA . 61.8 t -109.46 129.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.112 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 62.36 16.14 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.865 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 48.81 31.4 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.933 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.01 -41.33 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.893 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.93 126.89 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 51.52 110.86 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 16' ' ' VAL . 76.1 mt -80.66 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 72.22 111.127 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -133.38 159.21 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.089 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.3 m -77.11 138.35 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 52.01 111.143 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -44.39 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 70.54 110.891 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -161.46 119.62 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.126 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.7 pt -101.32 147.75 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.24 111.118 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.35 133.74 11.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 62.42 112.486 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -121.67 45.68 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 74.13 110.875 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 63.04 16.34 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.83 6.29 3.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 63.23 112.503 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.42 112.62 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 70.05 111.15 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 164.15 26.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -69.36 -41.05 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -46.94 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 54.15 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -70.15 -31.48 69.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.06 -47.53 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -35.61 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 35.22 111.135 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.79 -40.75 96.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 61.01 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.98 -51.44 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.93 HD11 HG21 ' A' ' 36' ' ' ILE . 39.8 mm -67.79 132.77 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.32 111.102 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.51 117.36 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.08 90.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -179.33 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 71.02 110.912 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 m -64.53 154.71 83.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 61.35 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.611 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.75 118.91 5.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 74.14 112.335 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.7 m -140.67 149.71 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 54.4 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.16 131.46 47.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.919 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 126.76 47.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.35 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.79 127.55 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -115.3 127.46 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.878 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.09 120.55 39.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -117.73 119.14 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 51.25 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.842 -179.866 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 72.54 110.869 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -145.19 134.55 23.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 43.13 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.612 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -134.7 140.58 46.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.884 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 28' ' ' ARG . 7.4 mp -107.93 132.12 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 63.44 110.93 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.664 HG21 HD12 ' A' ' 136' ' ' ILE . 4.1 mm -114.93 148.25 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.13 111.125 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.59 120.12 26.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.945 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.49 122.25 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.145 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.4 133.79 45.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HH2' HD23 ' A' ' 131' ' ' LEU . 57.7 m95 -99.17 115.51 29.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.957 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.77 86.44 1.09 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 75.4 110.898 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 132.4 23.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 75.24 112.368 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -58.11 -25.03 60.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 61.23 110.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -98.73 13.25 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.865 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.36 -110.75 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 70.42 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -128.08 160.04 63.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 63.11 111.117 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.71 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 64.25 112.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.82 -35.77 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.757 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.1 p -64.59 -45.57 86.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 51.12 111.128 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -68.23 -37.77 81.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.3 tpt -70.06 -48.03 59.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.38 -30.16 62.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 64.11 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.96 -41.73 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -77.44 -39.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -66.02 -25.14 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 60.33 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 t -100.56 -20.57 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 63.13 110.889 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -61.36 -39.23 89.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.87 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -41.27 99.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.866 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -24.45 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.49 -24.9 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.9 -55.41 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 73.02 111.109 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.43 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 75.41 112.394 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.934 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.45 -32.62 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 61.25 110.946 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.2 p -129.94 51.83 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.116 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -85.38 123.34 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 61.21 110.898 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.06 8.36 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 54.31 112.465 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.409 ' CZ ' HD22 ' A' ' 88' ' ' LEU . 5.1 m-85 -123.86 141.55 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 73.45 110.913 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -62.66 94.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.42 112.96 4.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.455 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HD3' ' A' ' 139' ' ' LYS . 2.1 mp -131.37 134.89 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 74.31 111.132 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 118.5 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 63.15 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.01 134.8 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.51 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.06 156.59 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.3 t0 63.14 -162.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.843 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.14 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -24.09 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.819 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.98 1.06 38.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 63.43 112.464 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.7 mt -114.3 23.58 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 73.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -86.55 97.82 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.841 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.34 -40.75 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 61.4 110.833 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -57.43 -33.96 68.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.39 -40.47 85.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.664 HD12 HG21 ' A' ' 89' ' ' ILE . 48.3 mm -67.97 -47.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.41 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.6 m -61.9 -40.41 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -69.45 -36.44 76.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 123' ' ' ILE . 6.5 mttp -64.66 -48.66 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.3 p -67.86 -37.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.154 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -70.66 -30.87 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 63.44 110.892 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.2 t -68.97 -36.95 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.857 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.23 28.99 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.9 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.841 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 109' ' ' SER . 9.3 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.871 0.367 . . . . 74.31 111.112 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.06 137.62 18.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 63.44 110.885 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.672 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.4 p -75.8 124.68 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.131 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.69 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 61.41 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -58.03 -36.76 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -41.86 81.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.917 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -64.1 -44.97 90.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.7 -51.85 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 63.24 111.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -59.67 -43.09 94.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 64.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.36 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 64.22 111.1 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -63.08 -42.97 99.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.1 -45.85 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -41.53 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.892 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 35' ' ' VAL . 5.8 tp -60.46 -36.08 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 110.91 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.46 -25.44 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -100.3 20.3 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 60.44 46.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.884 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -32.67 71.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -76.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.843 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -175.91 -68.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.778 ' HA ' HD21 ' A' ' 27' ' ' LEU . 2.4 p90 -144.84 152.34 40.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.893 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.971 HG13 HD13 ' A' ' 27' ' ' LEU . 27.8 m -130.32 124.82 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.112 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mt -103.02 128.32 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.13 111.145 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -120.46 148.25 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -128.37 151.4 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.3 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 69' ' ' PRO . 49.7 mt -84.81 122.07 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.549 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 88.4 t -105.93 135.19 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 70.01 111.116 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.2 m-20 50.98 32.57 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.11 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.557 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 30.16 52.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.908 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -164.25 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 63.11 110.936 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -125.22 127.16 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 54.32 110.893 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 16' ' ' VAL . 73.3 mt -81.69 131.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.175 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . . . -129.6 157.26 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.45 111.103 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.06 133.55 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.114 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -102.24 -56.85 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.931 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -161.37 112.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 60.43 111.17 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.729 HG13 HG12 ' A' ' 35' ' ' VAL . 14.7 tt -96.25 144.69 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.54 111.128 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.97 -168.3 33.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 53.35 112.509 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -174.09 46.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 74.53 110.886 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.89 -61.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.924 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.6 -12.84 57.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.486 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.698 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.31 116.8 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.24 111.083 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -78.22 167.63 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.873 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -32.96 72.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.22 -46.98 84.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.98 -36.69 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 52.54 110.921 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.439 ' CE1' HG21 ' A' ' 64' ' ' ILE . 7.9 t80 -61.98 -48.06 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 60.1 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.61 -43.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 71.32 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.47 -37.86 79.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 60.33 110.888 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.26 -55.41 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.34 111.075 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.1 pp -68.92 134.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 63.43 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -123.27 123.32 40.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -72.37 79.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.914 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -179.53 -57.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.42 153.08 61.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 72.02 111.098 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.526 ' HG3' HD23 ' A' ' 105' ' ' LEU . 53.2 Cg_endo -69.81 115.26 4.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 73.13 112.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.8 p -140.38 141.97 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.668 ' OH ' HG21 ' A' ' 45' ' ' ILE . 50.5 p90 -129.17 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.945 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.69 133.22 56.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 71.11 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -106.81 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.23 111.107 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.6 127.37 56.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.31 120.15 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.55 110.864 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -121.56 166.68 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.854 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.919 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 71.34 110.835 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -138.49 135.41 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 136.59 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 50.54 110.881 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -108.53 134.36 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.923 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.77 150.64 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.092 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.03 119.01 33.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.921 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.8 130.06 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.129 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 138.44 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -120.78 114.84 22.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.899 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 178.96 140.35 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 70.44 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.5 23.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 62.24 112.35 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -20.42 65.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.31 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -108.74 13.84 24.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 41.54 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 -98.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 72.35 112.51 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.616 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -124.2 159.8 55.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 72.31 111.047 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.633 2.222 . . . . 74.45 112.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.469 ' NE ' HG23 ' A' ' 102' ' ' THR . 4.4 ppt_? -68.29 -41.37 81.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 66.4 p -65.33 -43.99 89.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 61.42 111.14 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -57.89 -48.16 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -31.57 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.871 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.526 HD23 ' HG3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -55.18 -30.15 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 70.2 110.903 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 -39.54 21.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.811 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -28.13 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 65.05 110.842 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 14' ' ' VAL . 51.7 p -99.34 -24.59 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 61.41 110.881 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -39.38 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -42.05 97.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.856 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.99 -22.99 44.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.116 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -24.79 31.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.89 -55.33 34.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 63.02 111.158 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.77 -33.13 17.18 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 54.11 112.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -45.59 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.858 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 24' ' ' LEU . 9.5 p -109.74 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.101 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 122.49 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 75.12 110.959 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.56 29.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 60.1 112.467 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -128.87 157.09 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 52.12 110.88 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.65 137.58 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.94 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.78 120.53 4.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 54.52 112.566 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.41 136.11 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 74.45 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.76 126.86 53.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.03 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.596 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.51 131.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.3 111.087 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.76 156.02 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.26 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.27 13.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 45.02 111.122 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -23.23 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 60.54 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.596 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.28 31.56 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 54.53 112.482 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 130' ' ' GLY . 15.4 mt -146.67 22.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 71.12 110.91 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.64 96.02 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -44.35 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.926 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.49 -33.27 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -40.98 83.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.883 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.8 mm -67.76 -47.18 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.11 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -39.74 94.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.31 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.11 77.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 71.34 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -65.06 -48.44 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.79 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.136 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.81 -35.69 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.01 110.859 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -68.09 -33.71 75.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.837 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 62.25 47.01 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.887 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.755 HG21 ' OG ' ' A' ' 109' ' ' SER . 5.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.858 0.361 . . . . 74.35 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -142.98 137.56 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 51.22 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.623 HG11 ' CD2' ' A' ' 116' ' ' LEU . 6.6 p -73.53 122.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.106 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 155.42 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.105 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.31 -36.89 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.854 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.81 -37.76 74.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -68.7 -45.05 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 65.1 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 116' ' ' LEU . 22.1 t -58.71 -52.25 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 70.45 111.179 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -62.86 -41.25 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 65.22 111.174 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.86 86.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 55.21 111.113 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.46 -41.57 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.07 -46.21 82.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.888 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -71.49 -41.28 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.851 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 HG13 ' A' ' 35' ' ' VAL . 1.1 tp -55.93 -35.29 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.924 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.48 -24.9 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.84 19.1 15.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 65.11 110.847 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt 62.04 47.01 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.864 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.12 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.04 110.886 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 -78.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.843 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 179.17 -72.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 71.34 110.911 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -135.56 141.4 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.921 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.661 HG12 HG13 ' A' ' 50' ' ' ILE . 15.7 m -127.67 118.73 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 70.43 111.159 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 mt -108.52 137.04 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 75.53 111.148 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.99 156.08 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.852 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.22 165.12 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.851 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.596 HD12 ' CG ' ' A' ' 69' ' ' PRO . 17.1 mt -85.82 126.07 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.126 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 t -108.85 132.8 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.13 111.069 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER 51.18 33.95 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.22 110.898 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.561 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 29.43 54.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.924 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -164.6 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 127.33 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.13 110.86 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.437 HD12 HG12 ' A' ' 39' ' ' ILE . 29.3 mm -81.46 131.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 74.3 111.149 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.87 166.02 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.117 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.19 138.57 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.103 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -109.8 -56.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.564 HG21 ' HB1' ' A' ' 63' ' ' ALA . 56.1 p -150.04 101.05 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.661 HG13 HG12 ' A' ' 35' ' ' VAL . 14.4 tt -96.62 139.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.197 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.46 -171.12 22.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 43.21 112.505 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.98 -51.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 63.31 110.895 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 179.1 33.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.12 21.09 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 73.04 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -96.89 99.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.32 111.097 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.59 170.66 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -69.42 -33.79 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.926 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.69 -47.03 87.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -68.52 -31.56 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.902 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.633 ' O ' HG22 ' A' ' 64' ' ' ILE . 41.4 t80 -65.31 -50.03 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' HA ' HG22 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.68 -36.16 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.54 111.153 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -40.47 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.824 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -72.92 -52.09 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.094 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 60' ' ' PHE . 20.4 tt -72.19 147.35 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.23 111.133 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.42 131.52 41.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 61.51 110.87 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 88.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.46 -74.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.45 110.904 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.94 152.41 95.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 71.11 111.123 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.596 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 71.32 112.337 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.1 p -174.7 148.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 90' ' ' LEU . 44.6 m-85 -128.99 134.32 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.91 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.75 116.52 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 74.02 111.079 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.65 109.52 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 62.05 111.102 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 89' ' ' ILE . 34.4 p90 -113.44 141.17 47.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.877 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -91.74 124.43 35.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 60.34 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.45 174.37 7.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.902 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.901 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.842 0.354 . . . . 74.53 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -113.19 134.57 54.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.21 122.42 12.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.965 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.36 138.01 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 72.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 3.2 mp -119.21 148.98 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 61.43 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 71' ' ' TYR . 5.8 tp -124.92 119.9 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.927 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.7 mt -109.06 125.52 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.112 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.8 138.77 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.823 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.86 115.31 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.925 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -151.9 79.37 6.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 53.2 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.24 22.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 65.34 112.356 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.46 -21.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.845 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -104.0 13.67 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.811 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -103.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 34.45 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -145.2 159.94 47.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.8 -38.17 8.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 75.41 112.355 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.604 ' O ' HD13 ' A' ' 105' ' ' LEU . 2.5 mtm180 -68.09 -44.81 75.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.87 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 99' ' ' ALA . 8.0 t -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.15 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -58.01 -48.29 80.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.898 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -38.86 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 101' ' ' ARG . 3.0 mp -55.06 -36.26 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.89 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.05 -42.23 89.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -38.61 58.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.828 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 -24.41 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.906 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.755 ' OG ' HG21 ' A' ' 14' ' ' VAL . 3.3 m -101.7 -19.95 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 60.04 110.857 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.2 mtm180 -63.2 -39.38 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.19 90.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.53 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.08 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.17 -22.28 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.94 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -53.11 -55.62 32.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 73.42 111.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 64.43 112.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.41 -48.05 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.929 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -110.71 62.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.157 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -85.46 122.7 29.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.13 -41.08 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 50.01 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.04 135.43 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 62.04 110.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.438 ' HB3' HD11 ' A' ' 123' ' ' ILE . 2.9 mp0 -64.22 96.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.887 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.41 114.85 4.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.478 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 139' ' ' LYS . 3.7 mp -131.49 138.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 62.12 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -105.48 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.603 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.77 132.68 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 65.44 111.097 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -100.78 155.91 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.867 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.84 -163.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.891 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.01 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.081 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -21.36 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.865 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.603 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -99.37 18.18 56.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 52.13 112.528 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 130' ' ' GLY . 7.7 mt -133.57 20.42 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 75.41 110.919 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.24 107.38 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.884 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 60.53 110.93 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.76 -37.76 85.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.896 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -67.1 -43.26 82.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.519 HG23 HG21 ' A' ' 89' ' ' ILE . 47.9 mm -63.45 -47.17 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 65.42 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 50.53 110.84 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -66.1 -36.64 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.746 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.3 OUTLIER -67.92 -48.49 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.43 110.889 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.78 -37.84 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 45.14 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -61.31 -35.37 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 52.54 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.3 t -88.01 -26.39 22.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.1 110.85 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 56.28 26.41 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 61.34 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.599 HG21 ' CB ' ' A' ' 109' ' ' SER . 4.4 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 64.25 111.113 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.95 137.55 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.84 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.2 p -76.99 128.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.148 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 160.74 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 31.13 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.25 -42.94 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 53.12 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.32 -34.43 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.89 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -71.67 -40.34 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.644 HG22 HD11 ' A' ' 116' ' ' LEU . 61.5 t -63.48 -50.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -44.36 85.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.15 85.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.079 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.29 -41.05 77.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -57.91 -46.42 84.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.875 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.11 -36.87 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 88' ' ' LEU . 6.9 tp -60.12 -36.24 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.892 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.8 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.887 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -98.82 20.74 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 62.33 46.67 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -48.18 24.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.849 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.51 -79.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.844 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.614 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER 177.2 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.889 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.38 136.8 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.904 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.539 HG12 HD22 ' A' ' 27' ' ' LEU . 7.1 p -128.02 126.01 65.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 51.2 111.138 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.677 HD13 HD11 ' A' ' 64' ' ' ILE . 12.0 mt -102.98 129.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.126 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -125.87 151.15 47.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 71.34 110.835 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -131.96 164.03 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.841 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.632 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.6 mt -85.85 126.25 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.116 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.7 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -110.59 127.86 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.23 111.158 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.05 15.66 8.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.857 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.654 ' CG ' HD11 ' A' ' 105' ' ' LEU . 36.1 mt-30 48.62 33.12 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -146.3 -40.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.55 110.86 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -123.25 127.42 48.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 52.02 110.833 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 14' ' ' VAL . 22.4 mm -81.18 131.55 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.25 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.91 165.33 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.105 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.34 138.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.45 111.12 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 -49.24 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.913 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -161.64 112.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -95.6 147.8 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 65.04 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.38 -64.67 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.476 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 39.25 45.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 74.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 63.83 54.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.81 -38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.47 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 115.79 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 42.51 111.079 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.88 178.25 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -42.6 82.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.896 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -41.55 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.858 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -74.47 -31.0 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.52 110.92 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.01 -45.87 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.59 -44.13 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 53.1 111.158 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.63 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.11 -51.1 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 63.1 111.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 HD13 ' A' ' 36' ' ' ILE . 40.1 mm -72.51 124.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.145 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 165.99 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.81 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 98.2 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 70.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.88 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.48 154.3 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 73.4 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 112.36 3.06 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 75.51 112.345 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.9 139.51 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.604 ' HD2' HD11 ' A' ' 90' ' ' LEU . 55.7 p90 -128.85 131.67 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.945 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 93' ' ' TRP . . . -113.63 127.2 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 60.12 111.15 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -106.95 110.87 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.02 111.055 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.61 ' HE1' HD11 ' A' ' 91' ' ' ILE . 5.3 p90 -116.26 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.848 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.66 129.35 41.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.22 165.3 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 70.34 110.881 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.912 -179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.745 0.307 . . . . 61.54 110.902 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -134.05 140.58 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 123.02 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.915 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -90.76 131.77 36.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 54.54 110.906 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.66 HD13 ' C ' ' A' ' 88' ' ' LEU . 1.6 mm -119.9 148.73 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 62.41 111.096 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 73' ' ' ALA . 6.1 tp -118.39 119.92 36.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 61.15 110.903 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.61 HD11 ' HE1' ' A' ' 74' ' ' PHE . 4.0 mp -117.37 127.37 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.03 111.118 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.72 136.63 46.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.462 ' NE1' HD12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -123.85 117.25 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.887 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.64 151.38 0.54 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 62.23 110.914 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 131.83 22.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 72.44 112.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.92 -36.63 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.901 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.66 13.79 29.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 60.21 110.846 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.88 -89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 73.41 112.499 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.588 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -128.54 160.24 63.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.713 . . . . 73.33 111.088 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.79 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 75.05 112.34 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -68.23 -38.84 82.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.4 110.854 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.588 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 26.5 p -62.8 -45.83 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.129 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -48.34 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.857 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -30.6 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 62.44 110.844 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 ' CG ' ' A' ' 42' ' ' GLN . 9.8 mt -66.97 -31.06 71.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.32 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.58 -48.82 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.15 110.829 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 t -56.52 -40.34 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.599 ' CB ' HG21 ' A' ' 14' ' ' VAL . 23.4 p -75.28 -26.26 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 64.34 110.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -63.07 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.887 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.83 -37.16 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.812 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.54 -29.04 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -23.36 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 64.04 110.934 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.47 -55.62 27.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 74.22 111.121 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.69 -33.08 17.56 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 73.04 112.349 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.644 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.47 -42.35 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 53.32 110.912 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -112.49 65.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 64.41 111.113 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.49 122.52 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 70.13 110.936 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.33 -41.73 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 71.52 112.507 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.13 151.89 43.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 74.4 110.846 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.53 127.7 46.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 62.33 110.898 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -110.78 127.07 8.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 64.25 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.71 138.63 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 71.23 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.73 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 130' ' ' GLY . . . -147.52 138.94 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 53.42 111.123 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.69 153.91 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.03 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.32 -161.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 55.52 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.87 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.22 111.126 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -23.63 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.84 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.483 ' CA ' ' HB3' ' A' ' 125' ' ' ALA . . . -116.14 29.2 7.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 61.32 112.487 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 130' ' ' GLY . 19.2 mt -147.48 18.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 73.11 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.47 96.06 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -52.18 -39.79 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.844 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -67.61 -31.79 72.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.898 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.58 -47.48 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.32 -37.58 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 63.32 111.137 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.7 p -67.08 -43.06 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -34.3 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.88 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -67.26 -48.93 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.906 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.574 ' CG2' HD11 ' A' ' 89' ' ' ILE . 11.7 p -68.17 -37.28 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -61.0 -34.83 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.905 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.6 t -86.65 -35.41 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.13 110.839 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 54.25 61.94 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 65.12 110.847 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 53.22 110.868 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 39' ' ' ILE . 10.0 p . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.86 0.362 . . . . 74.04 111.119 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.81 140.76 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.848 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.754 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -74.16 126.0 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 72.32 111.109 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.21 154.73 27.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -34.09 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.885 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.4 -41.77 80.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.3 m -65.19 -44.39 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 116' ' ' LEU . 22.2 t -58.64 -52.32 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 64.42 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 m -60.01 -45.17 93.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 62.43 111.157 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.59 76.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.55 -48.4 64.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.53 -35.85 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -48.33 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.709 HD11 ' CA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -55.58 -45.47 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.937 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.3 ptm180 -66.53 -24.43 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.52 17.79 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.901 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 62.12 46.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.928 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -74.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.1 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -77.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.842 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.87 -65.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.915 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CA ' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -144.9 153.45 41.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.912 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.626 HG12 HD13 ' A' ' 27' ' ' LEU . 7.1 p -145.17 124.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 25.12 111.124 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.28 135.84 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 73.44 111.079 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.611 ' HG2' HG12 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -136.25 156.07 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.889 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.71 167.96 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.875 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.4 mt -85.7 121.0 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.161 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 46' ' ' ALA . 45.8 t -103.23 130.7 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.131 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.13 16.11 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.84 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 48.47 31.44 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -142.13 -41.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -126.05 126.71 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -81.98 131.23 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.179 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.62 159.12 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.25 111.125 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 37' ' ' MET . 27.2 m -74.78 138.5 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.097 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -108.64 -41.18 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.894 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -161.19 101.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.22 111.183 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 tt -96.62 147.83 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.78 -172.52 24.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 64.2 112.481 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.92 58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 72.44 110.861 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 58.13 27.32 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.88 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.06 -39.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 65.12 112.531 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 115.95 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 61.52 111.079 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.12 161.12 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 63.15 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -69.39 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.7 -46.76 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -67.86 -37.14 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -59.2 -51.56 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.86 -36.1 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.13 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.12 -51.03 13.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 ' H ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -63.35 141.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.02 111.124 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' H ' HD13 ' A' ' 64' ' ' ILE . 12.5 m-20 -116.49 -172.11 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.862 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -128.44 86.09 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.11 110.891 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -173.86 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.898 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 m -88.46 154.44 51.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 63.24 111.155 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.81 115.27 4.02 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 71.45 112.319 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 t -124.73 148.38 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -126.13 129.96 50.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.901 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.607 ' HB1' ' CE1' ' A' ' 74' ' ' PHE . . . -116.26 126.23 53.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 73.11 111.098 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.78 113.8 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.653 ' CE2' HD13 ' A' ' 91' ' ' ILE . 6.1 m-85 -111.25 126.75 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.926 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -91.96 118.8 31.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 52.33 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -121.87 105.65 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.85 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.91 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.825 0.345 . . . . 64.21 110.863 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -140.57 134.58 30.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 55.42 110.881 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -132.35 121.75 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -94.3 130.46 40.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.4 110.875 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.86 148.91 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.112 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.37 119.62 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' CE2' ' A' ' 74' ' ' PHE . 4.0 mp -117.22 127.11 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.01 111.112 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.41 121.76 42.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.829 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.601 ' CH2' HD23 ' A' ' 131' ' ' LEU . 8.7 m95 -103.31 113.29 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 65.13 110.88 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 t30 176.71 141.5 0.23 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.729 . . . . 72.13 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.41 23.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 75.43 112.331 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -21.23 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 52.22 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.83 14.24 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.841 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.69 -96.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 64.05 112.503 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -125.38 159.86 58.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 35.43 111.048 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.71 -46.72 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 70.11 112.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.587 ' O ' HD13 ' A' ' 105' ' ' LEU . 4.1 ptp180 -67.96 -32.61 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.0 p -72.2 -46.48 56.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.132 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 -35.11 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.89 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.58 -45.97 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.4 mp -55.15 -30.03 58.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.956 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.51 -35.54 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -53.03 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.84 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -52.35 -42.1 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.816 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.5 t -79.29 -24.84 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -39.39 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 53.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.1 -43.32 95.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 -22.86 44.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.675 HD23 HD23 ' A' ' 116' ' ' LEU . 5.4 mt -83.71 -21.27 32.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.33 110.873 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -56.7 -55.39 43.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 73.25 111.116 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.72 -35.7 12.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 61.41 112.343 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 16' ' ' VAL . 26.3 tp -66.37 -46.01 78.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.22 110.902 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 48.5 p -100.85 62.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.72 122.65 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.2 -24.66 29.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 72.41 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -81.68 137.39 35.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 75.42 110.922 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -78.16 103.79 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.69 101.66 2.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.669 -0.776 . . . . 72.33 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 139' ' ' LYS . 3.6 pt -124.64 138.62 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 71.52 111.138 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.18 122.65 46.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.23 127.39 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.76 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 63.71 -164.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.867 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.84 11.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m -58.93 -21.91 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.578 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -86.77 -18.23 58.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 54.43 112.472 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' CH2' ' A' ' 93' ' ' TRP . 7.2 mt -98.25 18.41 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 55.53 110.953 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -71.29 95.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.865 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.31 -42.79 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.893 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.57 -34.2 70.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.875 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.18 -40.04 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.93 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.33 -47.19 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.111 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 m -64.07 -38.23 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.69 -35.94 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.849 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -67.87 -48.15 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.889 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -37.99 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.11 111.131 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.09 -35.71 80.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.03 110.915 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 m -69.0 -34.36 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 64.01 110.846 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 51.83 30.24 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.913 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.785 HG21 ' HB2' ' A' ' 109' ' ' SER . 5.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 71.42 111.132 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.08 138.65 30.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 116' ' ' LEU . 9.9 p -73.4 129.68 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.113 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 157.53 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 63.11 111.072 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.97 -36.89 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.868 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.38 -44.18 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 50.4 t -61.94 -45.38 93.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.882 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 116' ' ' LEU . 21.4 t -59.42 -44.03 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.137 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.7 m -63.32 -46.88 84.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 70.2 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.02 -43.74 86.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 72.44 111.101 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD13 ' CG2' ' A' ' 117' ' ' THR . 10.1 mt -68.99 -32.47 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.76 -46.3 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 62.21 110.917 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.53 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.897 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -65.56 -34.61 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.54 110.936 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.591 HH21 HG22 ' A' ' 117' ' ' THR . 28.2 mtt180 -62.99 -24.54 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.839 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 11.16 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 33.2 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.91 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 p -65.85 -94.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 31.04 110.871 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -143.78 144.12 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.22 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.775 HG23 HD13 ' A' ' 27' ' ' LEU . 26.0 t -130.47 117.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.24 111.126 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.527 HG23 ' HB2' ' A' ' 72' ' ' ALA . 5.9 mt -102.98 130.22 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.3 156.04 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.885 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.59 168.61 18.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' HG2' ' A' ' 69' ' ' PRO . 22.0 mt -85.67 127.19 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.147 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.718 HG21 ' HB3' ' A' ' 46' ' ' ALA . 63.9 t -108.55 128.08 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 62.55 111.152 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.0 16.49 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 48.76 31.23 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 64.1 110.932 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -141.66 -41.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.936 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.36 126.87 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.25 110.837 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.712 HG21 ' OH ' ' A' ' 71' ' ' TYR . 68.2 mt -80.44 131.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.42 111.177 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.29 154.34 49.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 63.52 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.29 138.2 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.53 111.11 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -102.38 -42.44 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 72.15 110.943 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.562 ' OG1' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m -162.78 108.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.163 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.568 HG13 HG22 ' A' ' 35' ' ' VAL . 11.2 tt -100.43 133.36 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 54.11 111.135 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.57 -151.88 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 72.02 112.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -179.63 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.4 110.931 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -148.09 -41.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.6 86.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.462 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.691 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -71.58 135.5 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 74.35 111.118 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.47 150.65 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.23 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -46.99 82.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.47 -35.4 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.856 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' ALA . 1.6 m-85 -57.83 -51.59 68.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.85 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.72 -32.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 51.41 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.562 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -85.01 -49.72 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 65.02 111.112 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.402 HD11 HD13 ' A' ' 36' ' ' ILE . 54.0 mt -73.26 124.32 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.21 111.147 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.72 172.11 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 51.44 110.849 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -111.85 86.58 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 68' ' ' VAL . 5.7 t30 -179.23 -67.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.862 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG13 ' ND2' ' A' ' 67' ' ' ASN . 16.9 m -82.62 154.44 68.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 71.42 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.8 124.28 10.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 53.33 112.368 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.33 139.14 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.712 ' OH ' HG21 ' A' ' 45' ' ' ILE . 21.0 p90 -130.14 140.81 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.21 110.956 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -124.87 136.42 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.136 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.59 120.03 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 70.03 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.46 130.91 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.25 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 121.34 43.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.874 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -120.95 115.43 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.877 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.886 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.813 0.34 . . . . 74.44 110.868 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.19 142.71 29.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 139.76 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.896 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.636 HD21 HD23 ' A' ' 27' ' ' LEU . 3.8 mp -108.59 134.94 50.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -123.36 149.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.125 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 71' ' ' TYR . 6.2 tp -119.0 119.44 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 55.31 110.966 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.53 127.35 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.122 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 138.54 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 62.1 110.833 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -117.54 113.92 22.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.915 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 176.08 144.26 0.24 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 74.54 110.862 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 98' ' ' GLY . 53.7 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 65.03 112.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.89 -21.47 66.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.19 14.48 24.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.889 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 95' ' ' PRO . . . -61.32 -103.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 64.21 112.514 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.73 160.34 42.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 62.34 111.125 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.77 -39.48 6.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 44.15 112.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.77 -37.07 81.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.03 110.831 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.582 HG23 ' N ' ' A' ' 69' ' ' PRO . 99.0 m -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 63.53 111.099 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -41.0 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.919 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.1 mtt -69.2 -47.55 64.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.866 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.08 -31.9 61.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.13 -33.97 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.925 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -91.95 -40.09 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 50.55 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -42.54 99.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.11 110.837 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.785 ' HB2' HG21 ' A' ' 14' ' ' VAL . 27.4 t -79.98 -25.7 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 61.22 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -56.04 -39.28 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.921 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.85 95.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 54.13 110.844 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -24.25 43.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 70.35 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.68 -22.78 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 52.5 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.29 -55.34 38.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 42.41 111.141 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.74 -34.96 13.6 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 65.31 112.372 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -66.45 -39.43 88.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.944 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.628 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.4 p -130.37 63.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.155 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.38 135.41 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.9 2.28 23.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.19 158.11 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 74.33 110.887 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -100.35 121.57 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.917 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.57 120.43 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 63.02 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.451 HD13 ' HD3' ' A' ' 139' ' ' LYS . 3.5 mp -131.49 120.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.21 111.158 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.577 ' H ' ' NE2' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -84.79 136.63 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.906 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.84 128.07 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.079 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -97.59 161.86 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.04 -163.83 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 62.1 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.79 -26.21 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 33.34 111.067 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -20.34 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 63.32 110.856 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.684 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -86.68 9.09 72.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 71.12 112.5 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 130' ' ' GLY . 31.8 mt -137.54 18.44 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 64.31 110.871 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.08 96.09 5.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.883 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -54.24 -40.14 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.52 -32.94 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.922 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -40.63 80.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.407 ' O ' HG12 ' A' ' 140' ' ' VAL . 67.2 mt -67.56 -47.16 81.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -37.94 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.876 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.42 -38.1 77.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 74.05 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HD3' HD13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -66.25 -48.55 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.895 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.107 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -35.2 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.9 m -80.22 -33.26 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.13 110.846 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 52.15 30.49 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.2 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.847 0.356 . . . . 75.23 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.99 139.52 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.841 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 1.051 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -73.23 126.09 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.23 111.097 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -84.26 160.75 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.32 111.131 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -28.45 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.12 110.833 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 9.9 pt-20 -57.38 -44.84 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.901 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.23 -42.96 96.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 64.43 110.889 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 116' ' ' LEU . 21.8 t -58.59 -48.37 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.129 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.3 m -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.11 111.085 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 55.14 111.107 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.72 -39.92 84.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 55.24 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -45.9 86.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -71.53 -38.05 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD11 ' C ' ' A' ' 33' ' ' ARG . 12.8 tp -57.41 -44.4 84.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.911 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -63.71 -24.08 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.837 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.22 19.05 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 54.42 110.887 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.1 46.62 6.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.64 -43.57 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.907 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.92 -76.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.543 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER 179.86 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 61.51 110.872 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 28.6 p90 -145.33 155.38 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 50' ' ' ILE . 21.6 t -136.73 127.53 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 44.24 111.108 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.721 HD11 ' CE2' ' A' ' 60' ' ' PHE . 44.3 mt -105.51 122.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.089 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -110.27 147.07 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.32 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 68' ' ' VAL . 25.9 t60 -128.37 148.28 50.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.806 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.687 HD12 ' HG2' ' A' ' 69' ' ' PRO . 20.6 mt -85.21 119.89 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.168 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.78 132.84 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.136 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.29 24.5 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 51.13 110.83 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.642 ' HB2' HD21 ' A' ' 105' ' ' LEU . 9.6 pt20 39.43 40.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.968 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -149.23 -40.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.3 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.51 126.8 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.833 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 66.0 mt -84.21 131.09 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 61.32 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 154.2 47.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.3 111.105 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.21 136.41 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 72.22 111.113 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -47.19 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.947 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' HB1' ' A' ' 63' ' ' ALA . 96.0 m -161.37 109.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.13 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.604 HG13 HG22 ' A' ' 35' ' ' VAL . 19.4 tt -96.7 147.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 111.147 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.88 -178.79 30.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 51.24 112.467 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.93 122.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 62.23 110.933 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 33.62 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 72.15 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.96 74.34 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.568 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.13 163.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 75.14 111.058 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.26 150.73 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -41.76 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.868 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.72 -36.97 85.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.818 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -46.47 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HD11 ' A' ' 36' ' ' ILE . 28.8 t80 -59.35 -48.46 81.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.0 mm -67.33 -41.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 72.1 111.13 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.94 -38.7 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.04 110.871 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HB1' ' OG1' ' A' ' 49' ' ' THR . . . -72.94 -55.47 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.33 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 61' ' ' ILE . 11.9 tt -66.87 142.18 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.129 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.13 169.41 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 62.4 110.852 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -115.85 82.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.41 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 38' ' ' HIS . 12.7 m -80.02 153.12 74.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.45 111.098 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.687 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.73 100.72 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 75.12 112.356 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -113.23 140.79 47.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.93 129.61 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.905 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.28 116.92 29.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.4 111.154 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.489 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -105.48 110.41 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.109 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -111.39 130.35 55.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.883 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.7 122.23 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.45 110.864 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.17 111.31 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.888 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.865 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.852 0.358 . . . . 73.3 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -134.69 134.56 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.918 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.591 ' HG2' HG23 ' A' ' 140' ' ' VAL . 2.1 ttmt -137.33 129.15 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 64.44 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -99.84 132.03 45.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 70.14 110.939 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.96 148.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.12 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.36 118.9 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 44.12 110.95 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.24 130.52 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.092 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -101.35 128.21 47.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 54.21 110.861 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.648 ' CZ2' HD11 ' A' ' 131' ' ' LEU . 2.0 t90 -113.92 114.2 25.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.908 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.05 153.35 0.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 74.24 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.74 21.91 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.246 . . . . 62.45 112.344 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.08 -40.6 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.14 13.9 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.82 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.73 -90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 54.14 112.482 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -129.01 159.95 66.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 72.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.551 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.8 Cg_endo -69.73 -47.02 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 72.22 112.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -67.91 -39.43 83.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.562 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 31.9 p -66.11 -38.88 89.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 53.14 111.118 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -68.1 -48.25 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.9 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.24 67.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.882 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 42' ' ' GLN . 6.7 mt -54.98 -29.87 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.82 -47.51 71.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -45.14 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.849 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.7 m -56.19 -25.28 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.3 110.883 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -22.55 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.852 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -56.21 -39.35 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.02 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -43.65 92.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -22.9 44.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.43 111.098 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.691 HD23 HD23 ' A' ' 116' ' ' LEU . 7.6 mt -83.57 -19.47 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 62.24 110.916 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -58.9 -55.43 46.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.23 111.107 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.48 12.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 44.35 112.36 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.051 HD22 HG21 ' A' ' 16' ' ' VAL . 20.9 tp -67.84 -47.72 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 53.53 110.906 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 28.8 p -101.78 50.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 122.59 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 106.47 -42.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 71.13 112.476 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.56 158.12 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 74.45 110.899 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -104.23 140.35 37.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.921 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.01 112.01 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 52.22 112.432 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.477 HG21 ' CE ' ' A' ' 139' ' ' LYS . 7.0 pt -114.92 134.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 65.43 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.99 121.72 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.924 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.503 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.29 133.38 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.25 111.129 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.7 155.83 16.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 61.13 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.06 -163.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.1 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.15 111.061 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -23.02 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.52 110.892 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.505 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -109.78 25.4 17.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 32.22 112.469 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.648 HD11 ' CZ2' ' A' ' 93' ' ' TRP . 21.8 mt -144.08 23.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 74.41 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.03 105.84 18.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 73.15 110.885 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -52.1 -45.53 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.892 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.69 -32.14 67.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -41.04 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.901 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.52 -47.14 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 53.4 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -62.03 -40.56 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.83 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.84 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LYS . . . . . 0.477 ' CE ' HG21 ' A' ' 123' ' ' ILE . 4.9 tppt? -64.42 -48.67 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.887 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.591 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.1 p -68.03 -37.81 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.136 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -65.0 -34.19 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.874 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -83.86 -30.9 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 40.98 40.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.01 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 62.45 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.23 -59.5 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 53.13 111.111 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.6 mtm 57.41 90.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 63.3 110.918 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t -128.33 -47.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 65.44 110.853 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.75 -32.59 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 72.33 112.487 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.3 p -51.25 120.67 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.357 . . . . 73.15 111.11 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.46 147.17 30.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.838 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.8 p -73.32 122.92 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 62.42 111.155 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.96 160.75 31.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 52.22 111.102 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -56.62 -39.65 74.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.85 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -57.26 -41.48 79.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.43 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.8 m -65.9 -45.09 83.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 72.51 110.87 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.892 HG22 HD11 ' A' ' 116' ' ' LEU . 46.4 t -59.59 -39.86 80.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.104 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -70.48 -40.98 73.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 73.45 111.145 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.19 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 53.14 111.054 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 25' ' ' ASN . 3.4 pp -69.18 -38.58 78.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.918 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.561 ' N ' HD12 ' A' ' 24' ' ' LEU . 13.9 t30 -57.62 -46.99 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -72.6 -38.01 67.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.12 110.879 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.857 HD22 HG12 ' A' ' 35' ' ' VAL . 2.5 tp -57.9 -36.07 71.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.902 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.3 OUTLIER -62.74 -24.73 67.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 63.25 110.859 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.84 18.4 10.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.88 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 46.81 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.11 110.896 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.41 -28.29 61.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 64.41 110.933 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.78 -77.64 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.885 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -174.45 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 74.01 110.823 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.802 ' HA ' HD21 ' A' ' 27' ' ' LEU . 35.8 p90 -144.37 154.86 43.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.95 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.857 HG12 HD22 ' A' ' 27' ' ' LEU . 10.0 p -131.01 129.76 63.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 63.23 111.084 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.8 HG21 HD11 ' A' ' 64' ' ' ILE . 22.1 mt -114.59 123.49 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.158 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.83 156.1 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.844 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -132.15 166.81 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.22 110.872 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.659 HD12 ' HG2' ' A' ' 69' ' ' PRO . 21.7 mt -85.72 128.87 38.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 73.31 111.11 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.712 HG21 ' HB3' ' A' ' 46' ' ' ALA . 23.6 t -112.4 128.11 69.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.24 111.14 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.04 16.46 8.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.34 110.883 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.53 ' CG ' HD11 ' A' ' 105' ' ' LEU . 38.4 mt-30 48.84 31.99 3.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.895 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.13 -41.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.846 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.92 126.9 46.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.849 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.489 HD11 ' OG ' ' A' ' 109' ' ' SER . 60.9 mt -82.88 131.6 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 75.01 111.13 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.98 156.85 43.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 52.1 111.072 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -78.27 138.32 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 65.24 111.131 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -105.4 -43.7 4.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.921 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 54.4 m -161.91 122.42 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.112 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 9.9 tt -98.65 146.9 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.21 111.146 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.19 -148.2 17.61 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.696 -0.764 . . . . 64.44 112.472 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.53 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 72.13 110.838 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -173.8 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.9 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.78 70.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 45.42 112.499 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.15 158.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.78 0.324 . . . . 44.35 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.4 151.1 44.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 60.04 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.62 -33.9 76.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 65.15 110.897 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.68 -47.36 72.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.848 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -73.75 -36.74 65.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 53.33 110.907 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -61.99 -49.49 75.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.5 mm -71.58 -38.94 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 60.34 111.139 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -59.26 -40.55 86.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 62.04 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.77 -53.23 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 51.22 111.108 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.8 HD11 HG21 ' A' ' 36' ' ' ILE . 41.9 mm -66.22 143.72 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 64.31 111.106 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.19 111.1 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 61.34 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -66.85 89.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 41.24 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.19 -72.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 74.3 110.916 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.3 m -69.18 154.39 95.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.693 . . . . 70.44 111.192 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.659 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.79 116.04 4.38 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.676 2.251 . . . . 72.03 112.358 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 39.9 m -132.58 155.85 47.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.11 110.873 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' HB3' HD11 ' A' ' 90' ' ' LEU . 15.7 m-85 -128.95 130.3 46.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 71.14 110.91 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.27 123.74 40.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 61.14 111.069 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.625 ' HB2' ' CD2' ' A' ' 90' ' ' LEU . . . -107.14 131.61 53.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 61.25 111.103 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -124.13 127.38 47.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.82 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -97.35 124.11 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.106 -0.497 . . . . 62.04 110.819 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -135.74 132.98 37.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.883 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -87.91 147.38 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 51.43 110.905 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -146.03 176.09 9.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 74.51 110.924 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -119.88 50.39 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 75.14 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 81' ' ' ASN . 9.9 t -77.26 -40.82 43.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 53.2 111.16 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 80' ' ' THR . 8.1 t30 -78.82 -35.75 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 62.01 110.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 176.61 -42.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 64.51 110.845 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.27 -79.15 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 73.25 112.479 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 73.01 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.256 . . . . 71.45 112.371 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.26 149.28 42.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.925 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -132.02 134.65 45.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 62.52 110.889 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 129.61 25.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 65.33 110.909 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -108.6 137.81 45.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 62.44 110.937 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 88' ' ' LEU . 4.1 mp -114.98 148.9 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.14 111.123 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD2' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -122.93 119.84 31.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 72.13 110.959 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.441 HG21 ' O ' ' A' ' 130' ' ' GLY . 5.6 mt -113.54 122.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.3 t -101.16 138.51 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 41.34 110.889 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.601 ' HH2' HD11 ' A' ' 131' ' ' LEU . 0.5 OUTLIER -99.84 123.53 44.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.895 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -173.49 85.12 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 55.31 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 132.4 23.22 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.648 2.232 . . . . 73.42 112.353 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.11 -24.44 58.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 72.31 110.858 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 m -99.09 13.47 32.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 61.44 110.874 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -81.27 -111.51 0.34 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.731 -0.747 . . . . 74.22 112.475 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.777 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -126.82 159.94 61.55 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 63.21 111.132 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.74 -47.87 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 74.4 112.322 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -64.21 -35.59 81.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 70.24 110.844 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.777 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.6 p -63.94 -45.48 89.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 50.11 111.18 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -36.09 79.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.907 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.4 mtp -71.34 -46.82 59.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 72.1 110.897 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.53 HD11 ' CG ' ' A' ' 42' ' ' GLN . 3.1 mt -55.11 -30.05 58.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 64.23 110.92 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.17 -42.99 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.03 110.918 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -35.35 62.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.856 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.2 t -67.39 -25.94 66.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.082 -0.508 . . . . 65.54 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.489 ' OG ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -99.99 -25.24 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 64.31 110.867 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -39.33 76.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.12 110.899 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.52 -42.74 97.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.34 110.871 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.09 -23.03 44.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.134 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.2 mt -83.63 -22.06 32.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 54.41 110.897 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.84 -55.34 42.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.594 0.711 . . . . 62.03 111.124 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.269 . . . . 74.33 112.329 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.892 HD11 HG22 ' A' ' 21' ' ' VAL . 1.6 mm? -66.38 -47.74 72.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.44 110.898 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.5 p -96.21 62.54 2.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.153 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.12 122.6 29.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.931 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 18.66 41.06 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.698 -0.763 . . . . 74.42 112.468 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -129.34 131.2 46.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 73.33 110.846 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -68.23 104.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 61.2 110.93 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -97.29 117.43 5.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 72.11 112.466 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.6 mp -131.42 138.58 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.11 111.107 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.85 116.85 30.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 72.23 110.885 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.591 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.15 128.48 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 52.21 111.132 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -97.98 160.05 14.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.42 110.899 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.54 -164.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.54 -26.48 13.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 61.33 111.129 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.72 -24.63 64.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 51.43 110.859 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -93.87 -23.17 23.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.442 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD11 ' HH2' ' A' ' 93' ' ' TRP . 7.4 mt -105.97 24.61 12.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 74.11 110.913 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -76.99 97.2 4.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 62.41 110.876 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -51.8 -38.64 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.905 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.54 -36.9 81.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 61.4 110.843 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -37.53 80.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.21 110.875 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 140' ' ' VAL . 79.0 mt -68.27 -46.98 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 63.24 111.145 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.48 -37.77 87.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.825 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.64 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.847 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -67.68 -48.7 65.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.21 110.858 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.472 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 78.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.44 111.12 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -65.49 -33.74 76.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 73.05 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.4 t -84.35 -34.0 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 62.35 110.818 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 62.87 55.58 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.911 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 27.3 ttm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.24 110.86 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.79 0.329 . . . . 63.22 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -147.76 -65.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 73.21 111.087 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.9 mmt -53.49 146.21 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 70.35 110.904 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.77 -60.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.45 110.839 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.42 -32.0 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 64.45 112.495 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 14' ' ' VAL . 5.1 p -50.86 120.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 64.52 111.103 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.66 152.73 40.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.857 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.687 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.35 122.88 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 51.24 111.096 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.05 160.72 27.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.13 111.118 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -55.26 -35.26 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 72.23 110.858 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.48 -45.08 85.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.87 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.6 m -63.72 -44.05 94.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 73.41 110.858 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 HG22 HD11 ' A' ' 116' ' ' LEU . 21.8 t -58.7 -44.3 89.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.54 111.094 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -66.27 -43.42 86.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 70.21 111.126 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -47.28 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 72.54 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.16 -39.64 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 75.42 110.945 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -58.15 -45.91 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 60.11 110.877 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -37.13 70.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 50.05 110.806 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.019 HD23 HD21 ' A' ' 88' ' ' LEU . 6.7 tp -58.62 -42.9 89.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.944 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' CB ' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.37 -23.85 67.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.908 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -93.24 20.62 6.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.4 mttt 62.53 46.62 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.854 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -57.62 -71.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 64.43 110.936 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.34 -76.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 73.32 110.832 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.54 -76.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 72.04 110.889 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.497 ' HA ' HD11 ' A' ' 27' ' ' LEU . 47.8 p90 -145.53 155.3 42.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.478 . . . . 74.44 110.949 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.611 HG13 HD13 ' A' ' 27' ' ' LEU . 27.2 m -131.94 128.83 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 72.34 111.108 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.5 HG23 ' HB2' ' A' ' 72' ' ' ALA . 11.3 mt -108.05 135.27 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 52.22 111.118 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -134.31 156.11 49.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.877 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -131.71 168.03 18.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.896 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.68 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.7 mt -85.74 124.67 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.118 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.765 HG21 ' HB3' ' A' ' 46' ' ' ALA . 43.5 t -107.99 130.46 60.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 53.13 111.142 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.23 16.12 8.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.881 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 48.55 31.77 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 64.04 110.865 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 mttm -143.25 -41.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.917 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.98 126.74 44.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.856 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 51.0 mt -81.19 131.62 33.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 50.11 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.765 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.88 160.35 33.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 71.11 111.094 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -73.41 138.23 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 64.23 111.111 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -108.27 -52.86 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.889 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 28.5 m -162.99 121.89 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 73.51 111.132 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.557 HD12 ' HG2' ' A' ' 52' ' ' GLU . 21.7 pt -98.38 147.85 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.122 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -67.13 -58.76 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 63.23 112.546 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.557 ' HG2' HD12 ' A' ' 50' ' ' ILE . 17.0 mt-10 64.61 84.32 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.829 0.347 . . . . 72.43 110.903 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.22 18.74 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 64.3 110.863 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 89.25 76.1 1.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 51.23 112.497 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' A' ' 59' ' ' GLN . . . -49.0 166.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.759 0.314 . . . . 62.52 111.115 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -70.94 156.11 40.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.903 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.04 -32.49 73.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.896 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -68.01 -47.4 68.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.05 110.852 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.486 ' CD ' ' HB1' ' A' ' 55' ' ' ALA . 13.5 pt20 -74.51 -34.98 63.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.25 110.919 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG22 ' A' ' 64' ' ' ILE . 7.1 t80 -64.39 -48.54 75.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 71.11 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.2 mm -71.38 -43.23 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 64.34 111.156 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -59.17 -38.15 79.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 71.41 110.91 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.31 -55.14 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.15 111.116 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 60' ' ' PHE . 4.1 tt -67.24 143.46 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 74.45 111.129 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -145.91 99.74 3.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 71.35 110.867 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.91 103.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 55.35 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -179.6 -71.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.44 110.87 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.513 HG23 ' SG ' ' A' ' 70' ' ' CYS . 17.1 m -78.09 154.19 79.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 65.14 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.68 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 109.18 2.24 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 73.32 112.356 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.513 ' SG ' HG23 ' A' ' 68' ' ' VAL . 34.8 m -126.61 157.94 37.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.886 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 90' ' ' LEU . 12.7 m-85 -129.19 129.85 45.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.936 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -123.83 129.46 51.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.096 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.558 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.7 130.12 54.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 72.51 111.11 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HD23 ' A' ' 88' ' ' LEU . 38.4 t80 -122.0 127.22 50.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.888 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -97.41 123.4 41.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 74.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -122.17 166.89 13.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 61.02 110.871 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -111.45 145.65 38.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.871 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -153.29 166.87 31.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.22 110.924 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 t -115.54 55.7 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.161 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.9 m -77.54 -49.32 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 72.32 111.103 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -72.6 -35.97 68.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 73.31 110.909 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.24 -37.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.879 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.45 -76.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 43.44 112.524 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 73.93 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.253 . . . . 72.32 112.359 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.11 149.44 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.852 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.94 134.66 46.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 70.1 110.836 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.04 129.88 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.019 HD21 HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -100.45 133.9 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.03 110.878 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.541 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.84 148.68 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 63.34 111.117 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -120.61 119.69 33.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 64.32 110.887 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.09 122.25 69.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.11 111.136 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.2 p -101.37 137.65 39.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 74.4 110.858 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.415 ' CE2' HD11 ' A' ' 64' ' ' ILE . 6.5 m0 -99.82 115.39 29.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 73.32 110.95 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -159.95 88.72 1.9 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.631 0.729 . . . . 71.13 110.933 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.42 23.25 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 73.32 112.361 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.18 -22.67 52.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 72.45 110.85 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -101.82 13.65 34.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.43 110.858 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.49 -110.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 53.1 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.782 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -132.48 159.99 70.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 62.1 111.105 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.0 Cg_endo -69.73 -40.98 4.72 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.691 2.261 . . . . 64.22 112.327 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -68.11 -32.6 73.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 71.02 110.869 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.782 HG23 ' HB3' ' A' ' 99' ' ' ALA . 25.9 p -68.53 -46.23 70.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.147 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -68.4 -38.22 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.917 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -71.62 -48.0 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.846 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.08 -31.01 64.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 65.52 110.958 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -59.13 -48.66 80.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.929 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.92 -33.07 70.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 33.31 110.838 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 t -67.27 -25.41 66.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 73.33 110.882 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.1 t -101.5 -22.65 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.849 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.74 -39.37 73.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 63.34 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -41.93 97.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.13 110.861 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.12 -23.02 44.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 54.44 111.13 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 5.3 mt -83.4 -25.42 31.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.922 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.24 -55.45 31.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 44.22 111.11 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.72 -32.18 19.25 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.69 2.26 . . . . 55.41 112.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.687 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -66.45 -47.99 71.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 74.4 110.938 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.1 p -103.12 63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.4 111.13 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.43 122.63 29.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.11 110.875 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.91 18.43 17.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 32.41 112.488 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -130.51 148.83 52.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 74.32 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.24 128.01 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.41 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.746 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -100.24 117.61 5.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 40.22 112.453 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 122' ' ' GLY . 6.9 mm -128.44 120.32 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 64.52 111.086 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.14 115.76 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.871 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.643 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -149.03 136.1 19.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.094 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -102.06 155.08 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 42.34 110.878 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 63.82 -162.25 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 64.53 110.868 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.67 -25.97 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 62.53 111.096 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -21.39 59.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 64.01 110.855 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.643 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -98.15 17.47 58.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 74.05 112.48 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 130' ' ' GLY . 17.8 mt -141.4 25.58 2.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 73.14 110.947 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -77.72 115.72 17.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.905 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -59.67 -49.22 78.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 65.43 110.897 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -33.45 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.893 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -67.8 -40.32 83.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.888 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.453 HG23 HG13 ' A' ' 89' ' ' ILE . 49.0 mm -68.24 -47.08 79.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.11 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.6 m -62.58 -39.9 95.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -69.56 -36.73 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 75.32 110.856 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -48.38 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.51 110.843 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.79 -37.83 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 74.11 111.118 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -65.86 -31.56 72.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 74.54 110.901 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.5 m -80.75 -40.51 25.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.872 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 25.1 t30 61.02 40.65 14.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 65.41 110.877 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.1 ptt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 64.42 110.879 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.787 0.327 . . . . 73.41 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.26 34.23 24.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 61.34 111.106 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.55 -171.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 54.32 110.896 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.43 106.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 74.01 110.818 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.19 26.8 0.14 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 75.32 112.483 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.692 HG11 ' HB2' ' A' ' 109' ' ' SER . 9.4 p -51.66 136.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.347 . . . . 71.33 111.157 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.88 137.93 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 51.33 110.854 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.3 p -73.32 122.18 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 73.3 111.085 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.26 158.21 27.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -53.48 -32.38 49.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.443 . . . . 62.21 110.864 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -61.21 -42.8 99.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.904 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -43.58 82.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 62.21 110.868 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.494 HG22 HD11 ' A' ' 116' ' ' LEU . 22.0 t -58.7 -51.22 74.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 75.52 111.117 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -63.48 -41.03 98.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.23 111.126 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.06 -45.15 87.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.087 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.7 mt -69.07 -40.41 78.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 75.4 110.885 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -57.81 -45.97 85.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 62.34 110.852 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 -40.06 70.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.829 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.614 HD13 HG23 ' A' ' 35' ' ' VAL . 48.5 tp -55.4 -44.19 75.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.907 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.744 ' HB3' HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -63.58 -24.66 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 53.23 110.885 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.41 20.46 8.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.879 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.37 46.68 5.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.34 110.911 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -66.79 -59.11 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.843 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.97 -78.69 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 51.14 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 178.72 -53.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 70.45 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' OH ' ' HB1' ' A' ' 72' ' ' ALA . 2.1 t80 -138.67 138.47 37.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 65.03 110.89 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.614 HG23 HD13 ' A' ' 27' ' ' LEU . 64.1 t -130.65 115.29 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 35.23 111.138 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.9 HD13 HD11 ' A' ' 64' ' ' ILE . 86.1 mt -110.98 137.07 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 73.54 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.14 156.33 49.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.04 110.881 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -135.5 161.5 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.52 110.86 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.783 HD12 ' HG2' ' A' ' 69' ' ' PRO . 56.9 mt -85.84 127.68 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 61.43 111.151 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG21 ' HB3' ' A' ' 46' ' ' ALA . 21.6 t -111.05 135.3 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.12 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.08 23.89 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.828 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HB2' HD11 ' A' ' 105' ' ' LEU . 16.9 pt20 39.23 41.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 43.11 110.919 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -152.58 -40.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 52.13 110.926 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.25 126.92 46.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 52.13 110.859 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 62.9 mt -82.23 131.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 71.43 111.152 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -131.39 160.05 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 63.03 111.112 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.71 137.04 24.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 74.22 111.086 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.1 -48.83 3.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 74.43 110.888 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.9 m -161.28 109.26 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 62.3 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 tt -98.57 133.98 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.12 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.01 -178.15 31.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 62.0 112.476 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -179.34 70.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 74.11 110.854 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 51.77 73.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 63.51 110.867 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.63 -27.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 63.35 112.467 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.29 112.9 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 71.14 111.088 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.66 161.44 30.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.863 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -69.46 -36.96 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 65.4 110.922 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.9 -46.77 81.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.85 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -37.01 83.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.901 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.03 -45.77 93.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.895 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.0 mm -70.14 -40.66 78.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 75.02 111.167 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -40.56 87.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.894 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.46 -54.32 8.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.066 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.9 HD11 HD13 ' A' ' 36' ' ' ILE . 61.9 mt -66.91 146.1 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 63.12 111.119 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.1 110.45 17.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.89 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 101.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 73.42 110.925 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 179.52 -74.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 70.23 110.865 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.81 151.94 61.1 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 63.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.783 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.2 Cg_endo -69.78 85.35 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 44.44 112.33 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.1 p -107.56 156.3 19.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.903 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 113' ' ' LEU . 13.5 m-85 -121.66 132.67 54.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.942 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.578 ' HB1' ' OH ' ' A' ' 34' ' ' TYR . . . -119.24 118.02 30.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 75.33 111.072 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.14 130.59 54.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.11 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -117.29 126.71 53.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.907 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -98.28 116.71 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.908 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -128.67 175.33 8.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.887 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.65 147.29 46.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 65.12 110.908 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.05 171.68 14.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 74.03 110.941 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.7 t -121.3 51.72 1.27 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.122 -0.49 . . . . 75.03 111.127 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.6 t -77.43 -40.92 41.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 62.23 111.121 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.72 -35.87 44.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 75.22 110.928 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.46 -41.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 61.2 110.869 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.65 -79.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 72.25 112.527 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 72.26 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 65.13 112.346 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -119.74 149.3 42.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.3 134.69 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.84 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' CB ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -129.04 126.46 39.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.907 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -107.48 135.65 48.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 64.44 110.908 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.517 HD13 ' C ' ' A' ' 88' ' ' LEU . 4.0 mm -114.87 148.26 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.33 111.102 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.625 ' CD1' HG21 ' A' ' 117' ' ' THR . 0.7 OUTLIER -130.21 119.29 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.54 110.93 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.48 125.04 73.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 63.34 111.108 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.1 138.35 38.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 62.22 110.837 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.486 ' HZ2' HD21 ' A' ' 131' ' ' LEU . 3.5 m0 -106.06 115.62 30.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 73.13 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -161.05 87.35 1.69 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.663 0.744 . . . . 61.32 110.911 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.7 132.77 24.13 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.698 2.265 . . . . 73.31 112.341 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.77 -23.27 51.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 75.12 110.879 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 m -101.16 13.57 34.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.887 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.16 -110.77 0.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.495 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -134.96 159.57 71.61 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.6 0.714 . . . . 41.14 111.08 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.78 -34.56 14.27 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 75.15 112.345 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -69.05 -33.03 72.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.51 110.918 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.564 HG23 ' HB3' ' A' ' 99' ' ' ALA . 20.4 p -73.84 -47.23 39.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.473 . . . . 63.43 111.141 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.31 -34.93 75.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 70.51 110.898 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -71.39 -47.99 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 71.5 110.891 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 42' ' ' GLN . 20.6 mt -62.76 -30.0 71.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.54 110.92 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.22 -41.66 89.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 64.25 110.934 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 t -74.12 -41.51 61.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 54.43 110.9 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -24.62 66.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 64.33 110.819 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.692 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.9 t -96.9 -24.79 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.55 110.876 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -61.64 -40.48 95.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 65.53 110.905 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.6 -42.83 97.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.12 110.805 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.96 -22.84 45.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 73.43 111.12 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD11 ' CZ ' ' A' ' 71' ' ' TYR . 1.4 mt -83.0 -24.26 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 73.01 110.89 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.58 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -53.91 -55.44 35.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 62.15 111.162 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.82 -33.17 16.91 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.677 2.252 . . . . 62.24 112.346 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.494 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -48.02 71.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.52 110.91 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.625 HG21 ' CD1' ' A' ' 90' ' ' LEU . 43.8 p -111.08 59.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 63.41 111.073 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -85.32 122.45 29.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.901 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.29 -42.66 1.86 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 65.21 112.463 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.1 151.12 44.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 72.35 110.871 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.71 105.41 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 63.35 110.913 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -100.07 113.8 4.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 71.22 112.466 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.612 HD11 ' HG2' ' A' ' 139' ' ' LYS . 2.9 mp -131.5 136.37 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.321 . . . . 74.1 111.093 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -107.57 116.14 31.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 65.34 110.903 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.495 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.86 133.87 18.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.084 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -97.97 157.22 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.88 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.02 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.84 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.19 12.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 62.52 111.07 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.54 -24.23 63.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.04 110.892 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.626 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.78 18.78 39.93 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.725 . . . . 75.21 112.526 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 130' ' ' GLY . 36.3 mt -140.06 25.96 2.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.326 . . . . 64.12 110.936 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.85 108.38 14.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 61.52 110.875 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -51.81 -45.76 64.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.844 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.45 -31.86 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 70.1 110.889 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -67.65 -42.46 82.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 52.43 110.877 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.9 -47.26 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.21 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -40.85 95.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 62.02 110.84 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -69.56 -36.56 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 70.02 110.888 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.612 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -63.87 -48.69 75.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 54.12 110.912 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.422 HG23 ' CB ' ' A' ' 87' ' ' LYS . 7.4 p -67.8 -37.87 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 53.15 111.155 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -35.7 78.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.14 110.877 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 5.6 t -80.63 -29.67 36.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.2 110.845 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.31 26.61 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.842 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.853 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 75.43 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.45 -65.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 52.11 111.107 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -83.83 151.57 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 64.55 110.858 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 -62.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 54.4 110.839 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' VAL . . . 178.74 -48.36 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.796 -0.716 . . . . 75.45 112.501 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 HG21 ' HB2' ' A' ' 109' ' ' SER . 2.4 p 35.55 82.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 72.34 111.108 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.3 143.28 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.12 110.86 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.81 HG12 HD12 ' A' ' 45' ' ' ILE . 25.7 m -79.82 124.64 38.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.107 -0.497 . . . . 73.23 111.133 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.72 154.71 40.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 51.24 111.123 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.52 -36.98 62.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 74.1 110.858 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.34 -36.98 71.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 62.01 110.933 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 35.3 t -68.44 -45.27 73.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 74.04 110.821 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.821 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.48 -47.61 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 72.45 111.128 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -65.11 -42.38 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 111.106 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -45.15 87.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 32.34 111.131 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD13 ' CG2' ' A' ' 117' ' ' THR . 7.5 mt -68.76 -40.3 79.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 64.44 110.894 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -57.98 -45.98 85.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.83 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.68 -38.9 70.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 64.52 110.838 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.976 HD22 HG22 ' A' ' 35' ' ' VAL . 13.6 tp -56.48 -44.34 80.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.468 . . . . 73.54 110.944 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.657 ' CA ' HD12 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -63.52 -24.3 67.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.86 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 20.16 8.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.866 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt 62.04 46.64 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 71.23 110.917 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -73.2 -58.92 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.11 110.905 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.04 -75.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.844 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.675 ' C ' HD11 ' A' ' 27' ' ' LEU . 12.5 ttm180 -179.01 -70.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.33 110.85 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.472 ' HA ' HD21 ' A' ' 27' ' ' LEU . 17.8 p90 -140.12 150.64 44.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 72.33 110.921 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.976 HG22 HD22 ' A' ' 27' ' ' LEU . 27.8 m -133.1 123.45 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 72.43 111.144 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -110.07 132.25 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.01 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.7 mtm -135.34 155.75 50.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.88 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -130.8 165.37 23.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 62.23 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.71 HD13 HD22 ' A' ' 105' ' ' LEU . 21.5 mt -85.9 125.19 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.13 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' ALA . 92.3 t -109.5 128.61 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.23 111.145 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.12 15.64 8.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.817 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 49.04 31.91 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 62.01 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -144.74 -41.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 74.4 110.889 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.13 126.99 48.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 74.43 110.819 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.81 HD12 HG12 ' A' ' 16' ' ' VAL . 61.7 mt -81.7 131.41 33.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 52.45 111.148 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.644 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -127.61 156.64 41.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.064 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.29 138.38 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.127 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 -46.42 3.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 71.23 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -161.42 111.25 1.63 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 74.02 111.09 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.766 HG13 HG12 ' A' ' 35' ' ' VAL . 19.1 tt -97.17 142.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 73.31 111.153 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -101.17 -179.22 28.8 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 73.32 112.552 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.88 49.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 74.14 110.867 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 59.61 20.26 8.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.882 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.45 5.58 3.83 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 71.21 112.501 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.92 130.26 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 75.4 111.121 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.71 175.28 8.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.913 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -69.41 -39.24 78.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.23 110.899 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -46.95 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 72.23 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -63.45 -39.79 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 70.32 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.634 ' HE2' HD22 ' A' ' 131' ' ' LEU . 8.7 t80 -59.65 -50.92 72.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 52.14 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 60.5 mt -62.81 -41.98 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.24 111.139 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.12 84.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 73.5 110.862 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.56 -55.04 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.081 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.551 HD12 ' CZ3' ' A' ' 93' ' ' TRP . 1.0 OUTLIER -71.02 125.86 30.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 74.3 111.102 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -118.47 129.61 55.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 52.05 110.85 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.89 91.96 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.921 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 179.93 -75.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 71.35 110.83 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -81.63 154.54 71.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 74.34 111.15 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.613 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.6 Cg_endo -69.73 130.4 19.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.729 2.286 . . . . 73.24 112.334 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 18.0 p -140.77 142.44 34.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 51.45 110.913 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -117.75 130.15 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.932 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.74 122.8 39.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.074 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -106.15 136.9 45.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 62.41 111.115 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.442 ' O ' HD23 ' A' ' 88' ' ' LEU . 14.2 t80 -131.11 130.41 43.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.924 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -94.02 133.36 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.43 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -139.76 132.46 28.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.888 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -87.86 140.03 29.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.902 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -153.24 176.15 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.906 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 t -105.56 62.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 62.44 111.129 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.6 m -77.68 -49.96 13.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 62.24 111.12 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -77.8 -35.62 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 75.04 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.23 -32.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 64.22 110.872 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -178.23 -79.03 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 63.31 112.443 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 72.73 1.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.233 . . . . 71.21 112.36 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -132.33 149.24 52.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 62.3 110.854 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -134.66 135.17 41.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.533 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -132.7 141.79 48.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.895 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -108.56 137.68 46.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 60.45 110.936 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.0 149.01 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 61.53 111.14 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.7 tp -117.18 119.55 35.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 61.52 110.907 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.25 130.88 71.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 72.13 111.162 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.07 127.63 47.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 75.44 110.828 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.551 ' CZ3' HD12 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -112.59 114.52 27.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 72.03 110.893 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.5 p30 177.38 156.31 0.48 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.632 0.73 . . . . 71.41 110.909 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.36 19.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 75.3 112.364 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -65.97 -41.06 91.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 73.1 110.84 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 14.27 24.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 23.24 110.882 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.21 -95.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 73.15 112.532 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -112.23 159.47 33.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.591 0.71 . . . . 71.13 111.124 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.78 -39.97 5.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 70.32 112.333 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -67.04 -43.2 83.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.87 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.505 HG23 ' CD ' ' A' ' 69' ' ' PRO . 91.3 m -67.3 -37.83 84.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.53 111.159 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -67.77 -46.32 72.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 61.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -41.84 70.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 61.44 110.934 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD22 HD13 ' A' ' 39' ' ' ILE . 13.1 mt -55.07 -29.86 58.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.882 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -59.04 -34.13 71.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 62.4 110.879 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 p -97.72 -29.71 13.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 61.24 110.843 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.92 -26.78 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 65.53 110.836 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.665 ' HB2' HG21 ' A' ' 14' ' ' VAL . 8.4 t -99.07 -33.31 10.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.31 110.81 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -56.31 -39.38 72.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.14 110.908 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -62.01 -40.43 95.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 52.42 110.877 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.28 -23.96 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.07 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -25.83 30.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 71.42 110.898 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.36 -55.35 29.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 71.34 111.105 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.72 -33.05 17.52 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.691 2.261 . . . . 52.41 112.353 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.821 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.5 -41.92 88.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.15 110.885 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.441 ' CG2' HD13 ' A' ' 24' ' ' LEU . 71.5 p -130.8 70.24 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 75.31 111.105 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.26 122.43 28.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.892 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 132.47 -44.88 1.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 63.1 112.501 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -71.24 158.26 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 74.33 110.833 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -94.29 144.68 25.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 73.24 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.737 ' O ' HD13 ' A' ' 123' ' ' ILE . . . -112.49 126.87 7.75 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 75.44 112.524 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.737 HD13 ' O ' ' A' ' 122' ' ' GLY . 11.2 mm -128.3 120.27 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 72.25 111.12 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -102.56 116.67 33.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 63.33 110.895 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.646 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.82 132.8 18.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 40.11 111.077 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -97.93 155.56 17.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 75.32 110.892 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.84 -163.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.43 110.883 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.58 -26.09 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 64.24 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.7 -22.61 62.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 75.4 110.869 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -102.92 19.86 45.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 75.21 112.479 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 130' ' ' GLY . 25.0 mt -133.09 24.5 4.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 72.23 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.28 105.71 16.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 64.35 110.885 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -59.53 -42.96 93.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.896 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.66 -34.87 69.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 74.33 110.849 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.56 -40.41 84.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.03 -47.1 83.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.161 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m -63.39 -38.83 92.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 60.42 110.803 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -37.61 78.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.855 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -66.07 -48.32 71.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.886 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.533 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.8 p -67.78 -37.7 78.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 64.42 111.181 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -69.9 -34.92 74.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 72.11 110.859 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 10.4 m -69.43 -37.76 77.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.851 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 53.69 34.05 18.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 71.23 110.932 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.779 0.324 . . . . 73.21 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.11 -65.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 63.03 111.089 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 37.1 mtm -126.77 160.35 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.44 110.878 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t 52.67 61.18 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 73.24 110.859 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.2 -166.77 10.88 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 41.14 112.501 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.638 HG12 HD11 ' A' ' 45' ' ' ILE . 46.5 t 60.54 104.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 72.14 111.099 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.78 136.54 39.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.839 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -83.09 132.26 31.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 74.55 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.33 149.72 31.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 73.23 111.104 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.44 -35.67 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 72.24 110.89 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -58.64 -44.76 90.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 73.35 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -64.77 -42.72 94.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.41 110.874 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG22 HD11 ' A' ' 116' ' ' LEU . 40.7 t -58.59 -50.49 78.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 75.12 111.117 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.6 m -63.31 -41.19 98.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 73.33 111.121 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.18 83.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 51.13 111.091 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 ' CG2' ' A' ' 117' ' ' THR . 26.4 mt -67.3 -39.63 85.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 73.55 110.898 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.24 -45.88 86.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.71 -37.01 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.874 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.634 HD22 HG12 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -58.73 -43.16 90.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 52.33 110.929 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -23.81 67.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.03 110.909 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.68 20.11 7.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 52.2 110.869 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.45 46.7 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 63.42 110.892 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -72.39 -66.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 62.24 110.88 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.52 -75.99 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.865 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.67 -66.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.657 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 10.0 p90 -144.83 142.28 29.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 62.11 110.955 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.634 HG12 HD22 ' A' ' 27' ' ' LEU . 7.5 p -129.03 124.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 54.13 111.115 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.0 mt -109.21 135.74 47.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.174 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -134.14 154.61 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.892 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -128.55 168.58 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 72.44 110.797 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' CG ' ' A' ' 69' ' ' PRO . 69.5 mt -96.37 113.33 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.02 144.93 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 62.24 111.141 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t0 58.48 20.73 7.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 74.3 110.901 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.71 ' HB2' HD21 ' A' ' 105' ' ' LEU . 4.2 pt20 39.02 41.97 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.44 110.912 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -157.2 -38.42 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.881 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -116.06 150.86 36.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 60.53 110.841 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 14' ' ' VAL . 56.9 mt -103.18 130.85 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 72.5 111.112 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -140.28 150.1 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 63.42 111.088 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.19 138.36 22.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 60.15 111.128 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -106.09 -42.27 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.908 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 88.5 m -161.2 109.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.34 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.8 146.1 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 73.22 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.62 -174.18 24.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 70.34 112.474 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.12 54.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 75.31 110.862 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 61.89 18.16 9.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.889 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -129.49 -34.34 0.5 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 73.01 112.507 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.657 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.41 130.73 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.45 111.141 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -89.69 172.09 9.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 62.34 110.848 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.57 -41.1 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 74.52 110.854 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -57.59 -46.85 83.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.904 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.94 -36.0 82.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 44.43 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -62.82 -50.91 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 70.12 110.885 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.09 -41.83 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 111.092 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -60.46 -40.44 91.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.872 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.57 -53.78 20.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 73.12 111.119 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 pp -72.11 124.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 74.23 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.85 122.74 40.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 74.42 110.85 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 91.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.945 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -179.72 -74.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 73.34 110.9 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.1 m -76.02 154.43 84.73 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.709 . . . . 74.43 111.143 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.583 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.7 126.62 13.56 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.631 2.221 . . . . 54.22 112.358 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 79.6 m -145.54 151.74 38.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 73.22 110.848 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.589 ' HB3' HD11 ' A' ' 90' ' ' LEU . 52.2 m-85 -129.1 130.06 46.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.903 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -121.92 125.83 47.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 73.54 111.095 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -106.92 119.89 40.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 72.33 111.139 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -116.62 127.46 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.24 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.02 127.19 44.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 63.13 110.868 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -135.79 125.31 25.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.903 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.08 132.62 54.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 63.31 110.855 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -153.48 174.34 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 75.32 110.924 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 t -131.27 52.92 2.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.103 -0.499 . . . . 64.21 111.144 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.3 t -79.12 -29.27 43.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 65.01 111.131 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -77.64 -37.78 49.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 65.53 110.894 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 171.17 -51.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 70.32 110.858 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.72 163.92 13.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 71.21 112.456 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 99.63 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 70.22 112.317 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.55 149.28 31.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.1 110.853 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -111.29 134.48 52.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.859 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.27 133.64 29.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.903 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.0 mp -108.46 134.81 50.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 75.54 110.959 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.98 148.85 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 74.25 111.113 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.589 HD11 ' HB3' ' A' ' 71' ' ' TYR . 17.7 tp -120.88 119.81 33.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 75.4 110.916 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.45 122.53 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.44 111.102 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.5 t -114.07 138.83 49.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.833 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 12.3 m-90 -91.36 115.38 27.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 72.51 110.867 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -148.08 78.62 9.51 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.624 0.726 . . . . 74.24 110.865 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 132.59 23.6 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.707 2.271 . . . . 71.13 112.303 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -58.21 -22.66 52.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.832 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.93 13.55 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 52.23 110.826 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -67.93 -106.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 41.22 112.495 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -138.96 160.41 62.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 65.43 111.037 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.77 -45.67 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.635 2.223 . . . . 64.34 112.334 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.547 ' O ' HD13 ' A' ' 105' ' ' LEU . 3.2 mmp_? -68.03 -44.51 76.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.22 110.824 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 77.8 p -63.34 -43.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 63.41 111.152 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 42.6 tptt -57.71 -46.38 84.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.91 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 61.31 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.71 HD21 ' HB2' ' A' ' 42' ' ' GLN . 4.4 mp -55.45 -29.85 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 65.04 110.897 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -59.25 -47.36 85.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.925 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -37.12 82.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.877 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.4 p -67.26 -34.74 78.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 61.44 110.864 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.514 ' OG ' HG11 ' A' ' 14' ' ' VAL . 42.4 t -84.02 -32.14 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.855 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.421 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -60.75 -39.39 88.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.52 110.882 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.68 -42.17 98.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.895 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.21 43.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 73.01 111.114 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.492 HD12 ' OG ' ' A' ' 109' ' ' SER . 0.3 OUTLIER -83.82 -22.9 31.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.949 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.575 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.76 -55.33 39.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 64.15 111.087 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.0 Cg_endo -69.74 -34.52 14.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.691 2.261 . . . . 74.41 112.341 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.595 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.34 -44.59 82.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.943 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.69 ' CG2' HD13 ' A' ' 24' ' ' LEU . 33.4 p -120.17 65.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.42 111.138 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.22 122.44 29.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 71.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.86 -46.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.745 . . . . 43.11 112.467 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.1 149.57 46.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 65.51 110.839 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -84.22 107.26 16.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 73.44 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.67 121.88 7.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 31.51 112.515 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 139' ' ' LYS . 3.8 mp -131.37 138.58 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.758 0.314 . . . . 72.43 111.122 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.73 116.9 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 71.35 110.903 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -147.68 132.03 17.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 75.44 111.108 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -97.92 163.18 12.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.873 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 -162.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.41 110.869 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.6 -26.25 12.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.11 111.086 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.68 -23.71 63.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.882 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.65 38.04 3.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 64.35 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.3 pp -175.73 33.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 72.31 110.892 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.0 117.54 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.851 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -52.11 -43.44 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.876 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -63.02 -34.88 78.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 52.43 110.913 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.31 -45.68 72.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 62.43 110.892 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 46.9 mt -63.14 -47.2 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 72.14 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 64.7 m -62.89 -40.15 96.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 71.05 110.904 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -65.99 -36.79 84.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.866 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' A' ' 123' ' ' ILE . 0.9 OUTLIER -68.01 -48.4 65.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 73.14 110.892 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.89 -37.89 79.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 72.34 111.146 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -71.24 -35.41 71.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.906 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 42.0 m -75.72 -32.23 59.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 40.43 110.89 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 54.61 27.23 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.509 . . . . 65.31 110.892 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.12 110.853 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.741 0.305 . . . . 63.05 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 55.87 31.55 17.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 63.34 111.086 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.7 ptm -149.58 169.35 21.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 72.23 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 p -177.16 -56.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 52.52 110.83 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.72 -30.34 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.713 -0.756 . . . . 62.44 112.481 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.412 HG11 ' HB3' ' A' ' 108' ' ' SER . 5.2 p -50.94 122.2 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.854 0.359 . . . . 44.04 111.16 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -143.36 145.21 32.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 63.21 110.878 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.632 ' HA ' HD12 ' A' ' 45' ' ' ILE . 26.8 m -73.31 127.87 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 72.21 111.158 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.82 157.59 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 51.44 111.044 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -36.0 60.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.93 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.97 -33.96 76.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.31 110.868 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 m -71.03 -45.24 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 70.51 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.054 HG13 HD11 ' A' ' 116' ' ' LEU . 21.5 t -62.4 -45.64 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.452 . . . . 55.43 111.119 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.5 m -65.85 -46.66 77.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 72.15 111.133 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -40.99 82.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 23.34 111.055 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 117' ' ' THR . 13.7 mt -69.18 -42.79 75.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 75.55 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.21 -45.83 86.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 44.13 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -69.21 -42.4 75.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 64.43 110.875 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.89 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -58.39 -34.82 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.952 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' HA ' HD11 ' A' ' 88' ' ' LEU . 6.9 ttt85 -63.37 -25.31 68.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.22 110.863 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.48 16.64 13.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 51.43 110.882 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt 61.98 46.67 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.3 -20.97 50.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 53.42 110.895 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.01 -80.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 75.01 110.866 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 177.39 -65.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.901 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.639 ' HA ' HD11 ' A' ' 27' ' ' LEU . 13.2 p90 -145.24 155.29 43.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 73.23 110.932 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.89 HG12 HD13 ' A' ' 27' ' ' LEU . 6.1 p -142.5 120.99 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 53.21 111.11 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.627 HD11 ' CE2' ' A' ' 60' ' ' PHE . 17.8 mt -102.18 132.33 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.141 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -130.63 154.23 48.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.88 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -133.94 162.62 31.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 71.34 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.667 HD12 ' CG ' ' A' ' 69' ' ' PRO . 22.6 mt -85.88 122.21 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 65.31 111.089 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -105.08 129.26 58.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.51 111.121 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.92 15.72 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.859 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.573 ' HG2' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER 48.75 32.13 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 65.25 110.895 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -145.27 -41.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.928 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.74 126.91 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.886 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 89.6 mt -80.81 131.43 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.136 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.76 158.87 38.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 62.41 111.149 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.82 138.39 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 74.33 111.066 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -105.89 -49.57 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 64.23 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.5 m -161.46 104.25 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.05 111.167 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 tt -96.91 147.69 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.11 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.28 -175.26 25.28 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 30.12 112.472 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.53 66.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.847 0.356 . . . . 71.43 110.881 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 51.54 80.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 65.35 110.892 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.84 -18.88 0.66 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 61.21 112.481 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.58 ' HB3' ' HE2' ' A' ' 34' ' ' TYR . . . -68.12 120.67 14.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 62.32 111.089 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -80.63 174.89 11.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.867 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -68.54 -37.05 79.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 64.35 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.03 -46.85 78.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 73.14 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -60.88 -41.46 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 74.13 110.881 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.627 ' CE2' HD11 ' A' ' 36' ' ' ILE . 3.1 t80 -60.41 -51.62 68.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.905 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.3 mm -58.47 -45.42 89.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 71.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.49 -40.14 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 60.25 110.868 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.45 -52.22 59.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 51.43 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 28.6 pt -66.28 142.71 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.098 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.91 125.89 40.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 64.55 110.866 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.35 76.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 72.34 110.929 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.429 ' OD1' HG13 ' A' ' 68' ' ' VAL . 12.2 t-20 -179.36 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 75.12 110.899 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG13 ' OD1' ' A' ' 67' ' ' ASN . 16.3 m -79.62 154.64 76.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.733 . . . . 43.43 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.667 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.7 Cg_endo -69.78 119.51 6.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.696 2.264 . . . . 51.33 112.32 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.5 t -132.91 140.67 47.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 61.54 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.1 130.08 46.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.967 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -114.27 129.35 56.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.22 111.108 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.72 114.05 27.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 73.13 111.119 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -112.59 134.37 54.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 64.55 110.844 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -84.6 130.82 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 64.33 110.898 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.45 170.17 16.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.88 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -119.54 147.35 44.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.864 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.56 171.36 17.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.922 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -108.06 62.88 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.095 -0.502 . . . . 74.1 111.137 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.5 m -77.79 -49.86 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.14 111.15 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -77.79 -35.63 51.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.03 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.901 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.23 -77.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 71.05 112.494 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 74.14 1.32 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.746 2.297 . . . . 61.4 112.327 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.85 157.94 30.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 75.05 110.866 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -122.86 134.58 54.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.857 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.91 143.59 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.888 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.553 ' CD2' HD23 ' A' ' 27' ' ' LEU . 5.8 mp -105.3 136.34 45.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 71.35 110.893 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.588 HD13 ' CG2' ' A' ' 136' ' ' ILE . 13.6 mt -115.0 148.74 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 74.44 111.159 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.23 121.18 27.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 75.5 110.921 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.3 129.86 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.099 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.21 128.98 47.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 54.13 110.89 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.59 ' HH2' HD23 ' A' ' 131' ' ' LEU . 25.5 m95 -110.56 114.76 28.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 75.21 110.943 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.681 ' OD1' HG21 ' A' ' 102' ' ' THR . 1.5 t30 177.55 140.54 0.24 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 75.4 110.938 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 132.62 23.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.674 2.25 . . . . 65.12 112.317 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -59.34 -21.85 60.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.877 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.2 13.71 28.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 60.32 110.904 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.89 -96.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.733 -0.746 . . . . 43.11 112.452 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -136.09 159.92 69.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 70.34 111.097 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.74 -38.38 7.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.278 . . . . 72.2 112.366 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -66.84 -34.24 77.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.53 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.681 HG21 ' OD1' ' A' ' 94' ' ' ASN . 98.3 m -68.18 -45.97 71.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.178 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -38.84 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.32 -48.12 52.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 63.51 110.855 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.573 HD11 ' HG2' ' A' ' 42' ' ' GLN . 32.8 mt -61.89 -34.42 76.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.25 110.933 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.16 -48.74 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 75.52 110.923 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -63.27 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 73.2 110.877 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.412 ' HB3' HG11 ' A' ' 14' ' ' VAL . 37.3 t -67.2 -42.49 84.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 50.51 110.845 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.553 ' O ' HD12 ' A' ' 113' ' ' LEU . 27.0 p -71.5 -45.1 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 61.04 110.841 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -56.16 -39.47 72.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 75.11 110.878 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -40.53 89.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 64.33 110.857 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.17 -23.11 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 63.45 111.037 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 109' ' ' SER . 0.2 OUTLIER -83.26 -26.08 31.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 73.11 110.92 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.62 -55.32 30.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.62 0.724 . . . . 74.01 111.162 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.76 -31.75 19.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.69 2.26 . . . . 72.14 112.335 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.054 HD11 HG13 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -48.04 71.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.25 110.926 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.456 ' CG2' HD13 ' A' ' 24' ' ' LEU . 36.5 p -103.27 56.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 53.12 111.126 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -52.57 122.57 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 72.3 110.909 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 87.26 42.72 6.13 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 54.22 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.86 154.85 46.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 73.44 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -104.32 98.44 8.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.899 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.26 111.97 4.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 44.2 112.488 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.68 138.36 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 52.15 111.161 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.76 116.9 32.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 64.12 110.881 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.588 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.88 126.87 12.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.13 111.128 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -97.85 159.88 14.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 74.34 110.926 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.04 -164.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.858 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.76 -26.11 13.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.13 111.126 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -21.16 59.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 70.43 110.903 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -88.38 -13.22 63.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 23.21 112.467 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.59 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.5 mt -102.95 24.33 10.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 74.03 110.919 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.74 95.98 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.815 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -60.24 -38.25 82.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.873 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -65.61 -41.23 92.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 62.44 110.909 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.95 -41.14 87.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 71.41 110.908 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.588 ' CG2' HD13 ' A' ' 89' ' ' ILE . 31.2 mt -64.75 -47.36 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.097 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.4 p -63.29 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.33 110.901 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.76 -36.28 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.492 . . . . 73.15 110.855 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -67.75 -48.48 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 89' ' ' ILE . 28.7 m -67.89 -37.85 79.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.106 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -61.12 -33.32 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.919 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 7.4 t -86.95 -31.21 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 60.02 110.863 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 63.26 30.41 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.908 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.883 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.826 0.346 . . . . 72.31 110.868 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.72 164.29 30.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.09 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -143.35 157.6 44.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 75.32 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.5 -55.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 64.23 110.855 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.44 -54.03 0.59 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.509 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.6 t 59.99 102.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 61.35 111.11 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 137.15 38.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.888 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.764 HG11 ' HG ' ' A' ' 116' ' ' LEU . 6.7 p -73.25 127.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 63.14 111.139 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.57 151.21 47.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.125 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -53.44 -36.97 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 70.44 110.854 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -57.54 -43.08 84.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 63.3 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.15 -41.64 90.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.846 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 HD21 ' A' ' 116' ' ' LEU . 33.6 t -59.31 -52.5 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 54.22 111.117 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -62.83 -41.11 99.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 73.51 111.145 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.3 87.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 55.24 111.078 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.611 HD13 ' CG2' ' A' ' 117' ' ' THR . 61.5 mt -68.62 -40.45 80.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.947 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -57.88 -46.19 85.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 72.1 110.899 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.84 -37.46 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 54.44 110.881 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD22 HG12 ' A' ' 35' ' ' VAL . 1.5 tp -59.24 -38.0 78.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.896 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -63.23 -24.23 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 64.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -94.0 20.02 8.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 74.02 110.888 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt 56.44 46.7 20.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.891 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -30.72 60.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 62.53 110.872 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.98 -76.61 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 54.4 110.852 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 -68.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.871 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.701 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 5.4 p90 -145.34 154.3 42.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 53.4 110.904 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.739 HG12 HD22 ' A' ' 27' ' ' LEU . 7.3 p -139.65 126.46 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 75.11 111.155 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.4 mt -108.73 136.07 45.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 55.24 111.117 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.43 ' CE ' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -135.86 156.15 49.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.875 179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -134.06 166.38 22.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 71.41 110.867 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' A' ' 69' ' ' PRO . 29.6 mt -85.79 125.73 40.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.695 HG21 ' HB3' ' A' ' 46' ' ' ALA . 95.6 t -109.44 130.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 75.41 111.123 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.66 15.88 8.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.52 110.832 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 48.6 32.1 3.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 73.44 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -144.86 -41.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 55.43 110.87 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.97 126.81 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 75.31 110.853 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.6 mt -80.74 131.54 33.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 75.4 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -128.82 160.98 30.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 61.42 111.125 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.67 138.24 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 73.42 111.121 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -106.0 -49.83 3.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.88 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.2 m -161.74 107.61 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 73.13 111.131 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 tt -96.59 147.7 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 72.45 111.097 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.7 -172.76 25.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 44.25 112.49 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -179.92 58.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.868 0.366 . . . . 70.54 110.915 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? 55.72 65.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 72.24 110.88 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.04 -28.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.729 . . . . 63.3 112.499 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.701 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.93 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.309 . . . . 64.52 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' H ' ' NE2' ' A' ' 59' ' ' GLN . 0.3 OUTLIER -71.56 167.03 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.899 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.93 -32.63 71.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 64.13 110.941 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -47.42 84.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 72.23 110.85 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.428 ' NE2' ' H ' ' A' ' 56' ' ' ASN . 8.7 pt20 -69.95 -31.0 68.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.941 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 64' ' ' ILE . 5.7 t80 -65.44 -51.51 59.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.869 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.61 -36.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 72.35 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.15 -39.85 94.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 65.21 110.858 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.65 13.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.22 111.108 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.2 pp -71.53 135.57 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.54 111.094 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.35 118.23 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.887 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.96 88.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 43.41 110.923 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -179.46 -74.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.31 110.89 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.406 HG23 ' SG ' ' A' ' 70' ' ' CYS . 13.7 m -66.98 154.58 92.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.639 0.733 . . . . 75.52 111.102 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.76 116.58 4.63 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.658 2.239 . . . . 65.34 112.359 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.406 ' SG ' HG23 ' A' ' 68' ' ' VAL . 31.6 m -139.66 153.97 47.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 73.31 110.913 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.635 ' HB3' HD11 ' A' ' 90' ' ' LEU . 37.3 m-85 -129.15 130.07 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 61.33 110.936 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -122.5 128.27 50.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 64.15 111.093 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.67 129.2 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 73.33 111.137 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.52 128.71 49.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.807 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.64 133.52 34.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 72.32 110.912 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -139.12 161.96 36.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.862 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -111.71 147.24 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.886 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -148.99 166.97 27.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 73.31 110.919 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.8 t -118.46 50.63 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 72.01 111.158 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 81' ' ' ASN . 8.8 t -77.49 -41.5 39.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 73.21 111.161 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.417 ' N ' HG23 ' A' ' 80' ' ' THR . 27.6 t-20 -78.82 -36.29 42.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 73.54 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.2 t0 178.8 -43.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.866 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.81 -79.82 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 55.3 112.519 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 71.1 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 73.42 112.328 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -114.45 149.29 36.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.872 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -119.39 134.52 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.897 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.19 128.67 18.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 138.2 45.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.93 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.63 149.05 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 71.43 111.144 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.635 HD11 ' HB3' ' A' ' 71' ' ' TYR . 22.3 tp -122.97 118.9 28.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 61.13 110.968 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.401 HD11 HD12 ' A' ' 136' ' ' ILE . 4.0 mp -117.58 119.39 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 71.3 111.115 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.4 t -101.31 138.71 37.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 61.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -93.42 115.26 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 70.12 110.841 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -165.13 85.73 1.06 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.74 . . . . 71.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 132.86 24.17 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.675 2.25 . . . . 72.25 112.311 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -58.01 -22.9 51.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 74.05 110.897 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.34 13.77 34.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 61.22 110.877 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.57 -111.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 61.42 112.482 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.546 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -124.5 159.37 58.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 72.04 111.081 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.79 -46.29 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 62.42 112.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -59.95 -42.53 94.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 64.11 110.842 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.478 HG23 ' HB3' ' A' ' 99' ' ' ALA . 18.9 p -66.47 -38.91 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.4 111.122 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -62.88 -48.26 79.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.924 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -42.44 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 64.4 110.878 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 15.4 mt -55.07 -29.91 58.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.951 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -58.96 -48.81 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 64.31 110.946 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.6 t -67.34 -48.47 67.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 73.03 110.844 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 m -55.58 -26.1 41.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 44.44 110.834 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 69.5 m -95.47 -26.32 15.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 71.31 110.857 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.491 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -66.05 -39.37 90.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.879 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -43.63 98.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.865 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.05 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 55.14 111.085 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.74 -23.25 31.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 62.31 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.48 -55.38 38.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.652 0.739 . . . . 74.44 111.114 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.79 -33.45 16.46 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 42.55 112.319 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.764 ' HG ' HG11 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.39 -48.03 71.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.91 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.611 ' CG2' HD13 ' A' ' 24' ' ' LEU . 76.8 p -119.86 64.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 74.13 111.17 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -85.36 122.49 29.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 73.13 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 128.49 -50.84 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 70.12 112.5 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -71.16 144.52 50.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 63.13 110.92 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.42 101.24 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 74.35 110.966 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.02 104.07 2.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 41.31 112.463 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.754 HD13 ' HD2' ' A' ' 139' ' ' LYS . 3.8 mp -131.67 128.78 60.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 73.15 111.123 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -82.55 133.72 35.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 44.24 110.933 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.91 127.98 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 51.53 111.094 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -108.14 158.4 17.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.929 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.59 -164.5 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.843 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.61 -26.58 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.44 111.116 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -25.85 65.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.04 110.883 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.421 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -107.05 18.84 36.03 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 30.24 112.5 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 130' ' ' GLY . 54.6 mt -136.3 23.88 3.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 65.55 110.909 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -98.12 106.79 19.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.86 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -51.82 -38.07 54.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.832 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 -34.04 68.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 73.3 110.884 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -68.21 -42.29 80.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 73.03 110.923 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.401 HD12 HD11 ' A' ' 91' ' ' ILE . 47.2 mm -65.29 -47.2 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.123 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.5 m -64.19 -37.57 87.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 63.33 110.877 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.4 -34.74 74.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 71.11 110.871 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.754 ' HD2' HD13 ' A' ' 123' ' ' ILE . 1.7 mmtm -69.71 -48.63 58.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 62.31 110.88 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 6.9 p -63.55 -40.4 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 74.12 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -22.27 53.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 65.14 110.916 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.2 m -65.39 -32.03 73.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.854 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.7 m120 54.81 33.16 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.21 110.853 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.828 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.767 0.317 . . . . 60.22 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.39 27.18 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.146 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.9 mtt -114.22 -28.5 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 64.04 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 p -166.19 96.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.865 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.23 -32.83 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 72.25 112.512 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.4 p -51.35 120.94 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 70.14 111.106 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.88 141.5 40.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 63.11 110.903 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.7 p -73.22 122.79 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 62.21 111.176 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.31 155.88 40.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 73.14 111.103 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -53.46 -36.94 62.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.84 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.87 -43.08 90.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.904 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -65.64 -43.7 88.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 70.34 110.899 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.885 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.66 -48.11 86.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 64.54 111.076 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -41.96 95.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 75.42 111.141 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.04 -46.21 85.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 75.15 111.085 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.17 -39.9 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.927 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -58.02 -45.89 86.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.865 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -71.73 -38.69 70.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 71.02 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.752 HD13 HG12 ' A' ' 35' ' ' VAL . 0.4 OUTLIER -56.62 -44.45 81.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 60.1 110.916 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.5 ptt85 -63.69 -24.33 67.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 71.15 110.854 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -94.25 20.13 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 71.33 110.869 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 tttt 62.17 46.59 6.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 64.42 110.927 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -71.23 -68.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 62.14 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.98 -76.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 62.05 110.853 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.8 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.878 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.666 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 7.9 p90 -145.21 153.34 41.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.44 110.903 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.752 HG12 HD13 ' A' ' 27' ' ' LEU . 7.3 p -141.15 123.82 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 63.42 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 72' ' ' ALA . 4.4 mt -107.44 136.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.14 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -133.76 155.88 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.35 110.888 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -129.37 163.59 25.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 72.04 110.847 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.2 mt -85.77 126.02 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.42 111.183 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 46' ' ' ALA . 60.2 t -110.63 127.72 67.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.114 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.0 15.82 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 52.22 110.801 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 48.96 32.18 3.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.928 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -145.09 -41.32 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 72.25 110.876 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.82 127.02 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 61.44 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 70.1 mt -82.32 131.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 70.23 111.101 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.16 150.63 51.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 52.42 111.1 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.6 t -69.26 138.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -107.18 -46.38 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 70.23 110.876 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -162.06 106.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 63.43 111.184 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.5 tt -96.55 147.66 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 64.45 111.167 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.81 -171.77 25.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 45.43 112.534 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -179.59 53.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 75.43 110.887 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 60.74 19.72 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 74.42 110.861 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -146.65 13.84 1.56 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.683 -0.77 . . . . 61.22 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -94.33 111.11 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 60.35 111.088 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -71.93 162.41 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.874 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -69.53 -36.91 76.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.25 -46.86 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.85 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.884 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.1 t80 -65.63 -45.71 82.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 73.15 110.878 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.493 ' HA ' HG22 ' A' ' 64' ' ' ILE . 50.6 mm -71.31 -43.97 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 73.34 111.15 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -59.52 -40.51 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.915 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.57 -53.29 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.064 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 60' ' ' PHE . 11.3 tt -68.64 147.27 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 62.15 111.154 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.97 -169.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 73.34 110.909 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.54 68.01 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 64.32 110.905 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.846 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.4 ' HB ' ' HD2' ' A' ' 69' ' ' PRO . 16.7 m -69.19 152.9 96.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 65.25 111.106 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.582 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.72 124.65 11.31 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 74.01 112.351 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.49 147.54 50.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 61.35 110.875 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -129.01 129.9 45.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 73.32 110.894 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -116.47 123.89 48.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 40.02 111.143 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.611 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.43 113.27 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 75.33 111.114 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -111.53 127.54 55.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 75.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -101.63 122.32 43.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 64.3 110.892 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -133.37 135.15 44.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 45.22 110.872 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.63 147.06 32.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 63.42 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -152.1 156.6 40.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 74.21 110.927 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -127.46 43.88 3.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 74.2 111.17 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.2 m -78.88 -48.25 14.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 65.22 111.142 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.4 -38.96 69.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 54.41 110.899 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.98 -51.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.24 110.846 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.11 161.32 14.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.764 -0.732 . . . . 42.32 112.489 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.97 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 62.04 112.307 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.31 176.33 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 60.54 110.848 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -129.02 134.62 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.03 110.841 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.85 134.65 39.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.867 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD21 ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -108.63 130.02 55.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 60.24 110.876 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.94 150.09 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 63.43 111.143 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 tt -121.23 121.02 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.95 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 129.98 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 62.12 111.132 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.17 125.69 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 75.54 110.854 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -111.77 114.17 26.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.136 -0.484 . . . . 75.21 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.19 160.04 0.51 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.554 0.692 . . . . 73.34 110.911 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.5 19.42 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.669 2.246 . . . . 63.01 112.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.93 -41.17 91.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 63.34 110.867 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.3 13.9 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.803 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -55.85 -93.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 64.13 112.473 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.645 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -115.55 156.64 45.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.708 . . . . 71.53 111.098 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.4 Cg_endo -69.79 -36.1 11.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 71.45 112.338 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -45.47 74.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.42 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.0 t -68.09 -37.2 80.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 73.54 111.124 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -65.33 -48.2 73.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.918 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.72 -39.89 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 51.22 110.85 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.532 HD22 HD13 ' A' ' 39' ' ' ILE . 13.2 mt -55.03 -29.69 57.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 73.03 110.932 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -58.8 -48.86 79.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.957 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 p -78.58 -32.2 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 62.1 110.891 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.5 t -67.28 -22.07 65.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 74.24 110.81 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.618 ' O ' HD12 ' A' ' 113' ' ' LEU . 0.2 OUTLIER -104.21 -25.66 12.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 45.03 110.847 -179.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -40.8 97.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 73.35 110.84 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.5 -42.34 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 60.24 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.21 -22.9 44.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 54.32 111.08 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 109' ' ' SER . 0.4 OUTLIER -82.76 -26.51 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 64.42 110.951 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.584 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.67 -55.51 29.14 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 71.33 111.154 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.71 -31.23 21.17 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 64.11 112.358 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.885 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.32 -24.28 66.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 64.31 110.938 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.3 p -130.66 61.47 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.143 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -52.76 122.47 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 71.5 110.891 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 79.92 46.92 7.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 62.42 112.492 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.53 158.16 39.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.792 0.33 . . . . 73.53 110.888 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.94 104.01 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.43 110.89 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.2 113.31 4.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 54.11 112.511 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.1 mp -131.45 136.31 57.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 73.53 111.165 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -109.83 123.99 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 61.3 110.902 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.595 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.68 130.75 16.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 75.33 111.059 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -97.78 156.47 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 63.03 110.861 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.91 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.843 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 131' ' ' LEU . . . -52.58 -26.37 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.105 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 t -59.72 -23.25 63.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.859 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.595 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -104.98 29.76 11.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 73.02 112.497 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 128' ' ' ALA . 11.1 mt -142.07 20.62 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 71.03 110.933 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -80.44 96.2 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.884 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -55.7 -42.39 75.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 60.14 110.922 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.92 -32.0 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 72.53 110.873 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -68.31 -42.08 79.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.868 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 74.3 mt -67.59 -47.13 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 65.31 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 36.5 m -62.41 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.35 110.826 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 -37.14 77.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.845 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -48.4 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.94 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.9 79.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.11 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -28.04 64.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.877 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 30.3 t -83.08 -27.57 30.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.885 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 57.87 53.35 7.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 74.51 110.905 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 72.33 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.808 0.337 . . . . 72.51 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.31 -66.17 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 71.44 111.124 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 40.6 mtp -71.06 -36.13 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 63.44 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.6 p -144.79 82.3 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 70.31 110.853 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.21 -178.05 20.88 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 74.23 112.454 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.0 t 64.47 144.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 75.34 111.154 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 136.79 54.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.803 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 p -84.55 122.46 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.34 111.148 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 143.79 55.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 72.21 111.116 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.3 -31.46 44.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.42 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -37.1 85.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.887 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.896 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.872 HG13 HD11 ' A' ' 116' ' ' LEU . 52.8 t -60.64 -48.34 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 55.31 111.139 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.3 m -64.55 -44.01 92.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 75.55 111.149 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.01 -42.57 85.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 24.42 111.077 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.16 -42.02 76.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 63.35 110.919 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.83 -46.02 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.86 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.58 -37.0 71.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.831 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 33' ' ' ARG . 57.7 tp -60.79 -35.17 75.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.919 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD21 ' A' ' 88' ' ' LEU . 1.4 ptm180 -62.77 -24.74 67.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 72.34 110.86 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 18.23 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 57.16 46.61 18.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.02 110.895 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.41 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 53.45 110.906 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.96 -78.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 51.42 110.852 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER 177.12 -65.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 75.41 110.839 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -145.21 155.35 43.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.89 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.645 HG22 HG13 ' A' ' 50' ' ' ILE . 61.2 t -137.32 122.27 24.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 64.14 111.131 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.9 mt -107.67 137.11 40.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.14 111.147 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.646 ' CE ' HD21 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -130.07 153.7 48.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 63.54 110.876 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -128.15 150.85 49.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 74.51 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.581 HD12 ' CG ' ' A' ' 69' ' ' PRO . 30.1 mt -84.97 117.72 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.106 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.9 t -99.48 134.04 40.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 60.4 111.149 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 55.7 24.0 6.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 74.11 110.843 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.688 ' CB ' HD11 ' A' ' 105' ' ' LEU . 16.4 pt20 39.46 40.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 74.1 110.917 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -151.1 -40.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.61 127.05 50.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 64.22 110.882 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.431 HD11 ' OG ' ' A' ' 109' ' ' SER . 65.8 mt -83.11 131.06 34.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 73.22 111.135 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.68 157.14 44.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.12 111.065 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.1 138.41 22.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 54.43 111.121 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.12 -56.44 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 64.42 110.926 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 93.4 m -158.89 106.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.115 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.645 HG13 HG22 ' A' ' 35' ' ' VAL . 16.8 tt -96.93 145.86 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 75.14 111.082 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.61 -179.75 22.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 73.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -178.73 65.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 72.51 110.91 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt-85 55.92 24.64 7.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 63.01 110.892 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.31 -36.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 61.23 112.458 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.5 141.33 20.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.329 . . . . 72.24 111.086 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.36 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.926 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.48 -41.96 75.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 52.22 110.881 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.83 -46.78 86.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.869 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -71.09 -31.28 67.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 74.43 110.913 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.555 ' O ' HG22 ' A' ' 64' ' ' ILE . 5.2 t80 -65.88 -47.97 73.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.21 110.889 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.1 mm -71.3 -43.25 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 75.04 111.142 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.59 -40.31 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.905 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.38 -53.92 10.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 74.33 111.098 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 60' ' ' PHE . 2.4 tt -68.28 147.37 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.273 -0.421 . . . . 64.03 111.147 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -109.08 -170.09 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.899 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -143.4 75.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 65.32 110.907 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.6 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 61.35 110.913 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.9 m -98.15 154.47 37.68 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.592 0.711 . . . . 64.41 111.135 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.581 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.75 123.25 9.92 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.704 2.269 . . . . 74.12 112.319 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 49.7 m -137.48 142.34 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 50.21 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.439 ' HB3' HD11 ' A' ' 90' ' ' LEU . 84.1 m-85 -115.78 129.6 56.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.964 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -118.1 123.04 44.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 41.52 111.077 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.63 123.6 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 31.33 111.094 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.25 127.1 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -104.23 118.81 37.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.862 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -118.51 118.68 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 72.43 110.879 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -88.0 139.23 30.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 75.13 110.886 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -151.5 175.99 11.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 75.34 110.896 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 t -114.93 53.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 55.13 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.9 p -77.37 -43.96 31.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.133 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -77.68 -35.62 52.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 64.3 110.882 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.9 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.883 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.77 -79.09 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 71.42 112.449 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 72.37 1.43 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.656 2.238 . . . . 72.21 112.356 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.17 149.04 44.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.43 110.882 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -145.19 134.64 23.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 125.73 46.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.884 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' A' ' 28' ' ' ARG . 5.8 mp -101.05 128.83 46.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.34 110.917 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.532 HD13 ' C ' ' A' ' 88' ' ' LEU . 2.9 mm -115.34 148.54 17.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 72.21 111.094 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -121.08 118.96 31.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.904 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.4 mp -117.78 129.4 74.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 71.24 111.161 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.33 117.57 35.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.87 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -105.9 114.51 28.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.945 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -179.84 155.07 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 44.22 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 130.79 19.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 72.44 112.329 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.09 -41.23 90.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 73.12 110.879 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 p -109.0 14.07 24.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.842 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.35 -94.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 74.42 112.488 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.2 158.87 47.33 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 64.31 111.116 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.2 Cg_endo -69.83 -36.74 10.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 74.23 112.315 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -69.23 -32.45 71.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.474 HG23 ' HD3' ' A' ' 69' ' ' PRO . 98.5 m -73.75 -47.23 40.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 53.32 111.109 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -35.25 76.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.874 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -48.07 49.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 74.35 110.889 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.688 HD11 ' CB ' ' A' ' 42' ' ' GLN . 23.2 mt -56.3 -30.46 62.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 74.11 110.946 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.95 -33.85 71.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 73.04 110.955 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.66 -32.97 13.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.503 . . . . 73.04 110.851 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -42.64 83.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 61.24 110.873 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.431 ' OG ' HD11 ' A' ' 45' ' ' ILE . 9.2 t -83.85 -17.32 41.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.87 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.615 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -62.51 -38.99 92.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.859 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -61.87 -41.62 98.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 72.41 110.877 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.49 -26.95 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 72.31 111.114 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.646 HD21 ' CE ' ' A' ' 37' ' ' MET . 0.4 OUTLIER -83.77 -15.26 49.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.937 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -61.21 -55.53 42.95 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 71.14 111.134 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.5 Cg_endo -69.8 -34.08 15.17 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.247 . . . . 65.14 112.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.872 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -70.58 -48.31 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.917 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.9 p -105.9 46.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 60.43 111.168 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -81.66 132.47 35.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 102.13 12.54 33.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 72.1 112.492 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -128.37 152.85 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.347 . . . . 75.55 110.841 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.8 mm-40 -81.84 111.79 18.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 65.24 110.916 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.13 120.23 6.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.73 . . . . 70.12 112.49 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 3.2 mp -131.45 138.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 64.32 111.083 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -109.89 120.23 41.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 64.42 110.939 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.58 138.59 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 73.0 111.088 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -97.46 156.96 16.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 53.42 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.67 -161.44 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 64.24 110.854 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.13 12.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.5 111.12 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.8 m -60.2 -22.82 63.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.02 110.831 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.432 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -106.04 43.11 1.74 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 72.24 112.491 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 33.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.329 . . . . 75.51 110.915 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -90.12 110.47 21.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 70.14 110.872 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -47.69 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.901 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.45 -34.46 69.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 72.21 110.841 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -68.58 -39.65 80.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 44.41 110.864 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.427 ' O ' HG12 ' A' ' 140' ' ' VAL . 48.0 mt -67.19 -47.03 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.161 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.3 m -64.81 -37.87 89.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 74.52 110.861 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.03 -37.56 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 62.13 110.888 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -67.61 -48.6 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.31 110.907 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -68.05 -37.79 78.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 70.21 111.13 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -63.24 -34.73 78.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.04 110.876 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 1.6 t -79.81 -37.64 34.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 62.41 110.897 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 60.08 33.0 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.886 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 17.6 mtt-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 72.52 110.886 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.791 0.329 . . . . 71.24 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 59.18 26.18 14.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 41.42 111.13 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 ptm -106.51 -28.86 10.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.11 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.71 -73.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 72.51 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 97.23 -48.74 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 54.52 112.503 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t 60.25 103.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 73.13 111.168 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.92 136.86 39.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.856 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.5 p -73.39 122.74 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 52.14 111.11 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.61 152.66 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 73.31 111.11 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -58.5 -28.45 65.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.21 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -58.9 -43.46 91.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 61.42 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.5 m -66.05 -42.74 89.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 40.14 110.911 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.069 HG22 HD11 ' A' ' 116' ' ' LEU . 23.5 t -58.68 -52.15 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.23 111.161 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -62.65 -41.19 98.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.13 111.143 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.64 87.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 32.21 111.092 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.6 mt -69.08 -40.41 78.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 71.32 110.925 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -57.81 -46.33 84.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 74.4 110.861 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.04 -37.74 69.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.921 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 35' ' ' VAL . 3.4 tp -56.64 -43.98 80.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 64.31 110.932 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -24.13 67.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.46 20.15 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 73.41 110.909 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp 62.02 46.68 6.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.913 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -72.66 -53.45 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 74.43 110.885 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.08 -77.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 74.43 110.871 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.85 -63.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 73.23 110.867 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.547 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -142.56 146.16 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 73.23 110.909 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.816 HG12 HG23 ' A' ' 50' ' ' ILE . 19.7 m -133.65 124.18 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 61.45 111.136 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.971 HG21 HD11 ' A' ' 64' ' ' ILE . 8.4 mt -111.82 131.97 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.159 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.6 mtm -131.78 156.18 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 54.53 110.823 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -138.22 167.48 21.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 63.23 110.886 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.643 HD12 ' CG ' ' A' ' 69' ' ' PRO . 28.8 mt -85.75 129.25 38.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.129 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 46' ' ' ALA . 57.7 t -112.93 128.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.132 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 62.85 15.86 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 61.44 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.666 ' CG ' HD21 ' A' ' 105' ' ' LEU . 30.3 mt-30 48.97 31.65 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 72.24 110.959 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -143.2 -41.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 75.43 110.883 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.65 127.11 45.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 73.1 110.839 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 16' ' ' VAL . 43.6 mt -81.44 131.43 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 73.51 111.118 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.783 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.09 165.56 21.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 51.41 111.104 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.08 138.34 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 43.02 111.118 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -106.97 -50.4 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.887 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 97.6 m -161.26 108.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.151 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.816 HG23 HG12 ' A' ' 35' ' ' VAL . 96.6 mt -107.95 142.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.53 111.137 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.27 -169.71 33.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 73.51 112.453 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -179.85 56.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.863 0.363 . . . . 74.01 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 63.38 25.76 14.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.854 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -150.51 16.57 0.98 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 53.14 112.493 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -104.65 130.2 52.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 75.01 111.127 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.87 168.64 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 53.05 110.904 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -69.55 -32.04 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.853 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.33 -47.01 87.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 70.11 110.849 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -72.31 -31.15 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.919 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -63.4 -50.48 69.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.43 110.89 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.5 mt -73.1 -38.92 56.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.102 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -40.64 87.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 63.22 110.897 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.78 -52.99 8.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 53.51 111.074 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.971 HD11 HG21 ' A' ' 36' ' ' ILE . 41.1 mm -66.39 143.5 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.53 111.151 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.38 147.6 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 63.42 110.838 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -87.85 91.31 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.93 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -179.19 -74.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 64.14 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.76 154.59 94.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.634 0.73 . . . . 72.43 111.133 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.643 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.4 Cg_endo -69.78 123.37 10.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.688 2.259 . . . . 74.0 112.353 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 19.0 p -154.92 145.05 21.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 64.11 110.865 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.435 ' OH ' HG21 ' A' ' 45' ' ' ILE . 20.0 p90 -128.92 139.01 52.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.891 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.29 120.09 32.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 73.31 111.055 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.858 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -107.0 113.24 26.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 73.44 111.094 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -116.49 140.57 49.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -89.56 124.97 35.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.835 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -124.38 174.74 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.15 110.888 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -113.04 147.3 37.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 65.44 110.892 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -148.75 164.49 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.903 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 t -115.75 56.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.501 . . . . 42.31 111.15 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.2 m -77.43 -49.34 15.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 61.42 111.197 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -72.67 -36.02 67.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.888 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 176.03 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 51.5 110.852 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -176.54 -76.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 53.11 112.496 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 74.31 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 61.5 112.327 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.12 149.32 44.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 73.21 110.889 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -113.79 134.15 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.875 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -144.43 121.88 11.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 64.23 110.899 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.2 mp -98.73 136.0 39.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 71.21 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.74 HG21 HD12 ' A' ' 136' ' ' ILE . 2.3 mp -116.48 148.77 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.13 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.858 HD12 ' HB2' ' A' ' 73' ' ' ALA . 1.0 OUTLIER -126.32 120.29 29.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.958 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 26.1 mt -107.96 118.91 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.25 111.095 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.4 m -101.19 138.56 38.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 53.32 110.848 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -99.29 115.54 29.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.875 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -157.53 80.38 3.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 74.11 110.898 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 132.64 23.79 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.738 2.292 . . . . 64.12 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.03 -23.12 53.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.02 13.37 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.853 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 -107.27 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 74.21 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.648 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -134.25 159.09 73.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.567 0.699 . . . . 73.35 111.111 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.546 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.85 -47.81 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 54.33 112.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.526 ' O ' HD13 ' A' ' 105' ' ' LEU . 15.8 mtt180 -67.86 -44.17 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 63.13 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.648 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 42.9 p -62.54 -43.63 98.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 64.42 111.119 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -58.46 -48.41 80.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.921 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -30.43 65.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 70.23 110.838 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 42' ' ' GLN . 1.4 mp -55.84 -48.78 74.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 61.31 110.915 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -33.89 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.948 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.4 p -79.2 -28.36 42.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 65.43 110.867 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.95 -25.59 65.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.895 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 p -111.69 17.25 20.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 72.1 110.857 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.653 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.9 ptt180 -66.33 -44.32 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 53.42 110.835 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -66.44 -33.12 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 65.14 110.899 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.64 -31.35 41.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 75.54 111.099 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -84.49 -22.25 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 61.31 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.07 -55.46 27.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 72.44 111.136 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.72 -34.95 13.66 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.25 . . . . 75.35 112.346 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.069 HD11 HG22 ' A' ' 21' ' ' VAL . 3.5 mm? -66.36 -32.36 73.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 63.41 110.931 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 73.7 p -106.77 46.31 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 41.52 111.17 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.39 122.49 29.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.45 110.913 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.12 -46.84 1.54 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 52.15 112.488 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -71.09 133.11 46.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 72.14 110.882 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.11 91.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.919 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -94.78 114.8 4.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 72.22 112.438 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.0 mp -131.49 138.53 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 65.21 111.134 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.15 116.76 32.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.881 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.655 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.25 129.61 14.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 72.32 111.148 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.82 160.7 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.865 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.64 -163.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 55.23 110.848 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.33 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.33 111.163 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -23.27 62.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.13 110.87 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.655 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -83.36 -17.0 67.57 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.715 -0.755 . . . . 74.21 112.531 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.73 25.92 11.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.357 . . . . 75.52 110.929 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -71.4 101.6 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 75.33 110.84 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -56.34 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.868 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.52 -35.93 70.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.35 110.908 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -67.49 -43.43 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.74 HD12 HG21 ' A' ' 89' ' ' ILE . 45.6 mm -63.09 -47.17 93.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 74.35 111.118 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.836 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -66.31 -35.52 80.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.86 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -69.47 -48.17 61.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.883 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.7 m -68.04 -38.45 79.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 73.01 111.112 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -21.76 55.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.887 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -36.42 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 61.51 29.99 18.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 41.51 110.896 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.852 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 35.9 mtt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.772 0.32 . . . . 74.21 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.34 33.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.14 111.076 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.69 157.12 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.15 110.87 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.5 m -135.23 73.32 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.863 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.95 -70.56 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 64.51 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 105' ' ' LEU . 41.2 t 59.86 101.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 43.33 111.161 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.92 137.05 38.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.871 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.537 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.0 p -74.47 123.66 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 65.3 111.086 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 149.37 50.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.106 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -53.47 -34.09 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 71.3 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -58.61 -40.08 82.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.843 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.1 m -66.85 -45.03 79.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.661 HG22 HD11 ' A' ' 116' ' ' LEU . 37.1 t -58.79 -49.31 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 73.4 111.169 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.7 m -63.4 -42.85 98.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 62.43 111.153 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.59 86.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 62.21 111.092 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD13 HG22 ' A' ' 117' ' ' THR . 10.7 mt -68.78 -41.32 78.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.52 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -45.98 85.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 63.12 110.914 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.55 -37.0 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.857 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.664 HD13 HG23 ' A' ' 35' ' ' VAL . 0.7 OUTLIER -60.52 -36.83 79.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.921 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.621 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.7 ptm180 -63.28 -24.56 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.902 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -99.94 20.38 14.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 71.54 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.31 46.54 10.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.44 110.852 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.09 -40.1 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.52 110.903 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -134.03 -78.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.41 110.875 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.57 -67.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 72.35 110.828 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 27' ' ' LEU . 1.3 p90 -145.3 136.38 24.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.919 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.664 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -124.54 128.24 73.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.131 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.502 HD12 ' CB ' ' A' ' 72' ' ' ALA . 5.6 mm -107.52 128.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 75.34 111.122 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.53 154.8 40.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -139.71 162.61 34.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 64.3 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.639 HD12 ' CG ' ' A' ' 69' ' ' PRO . 20.1 mt -85.83 127.4 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 74.43 111.091 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.753 HG21 ' HB3' ' A' ' 46' ' ' ALA . 83.7 t -110.14 128.26 66.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 75.25 111.131 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.5 t0 62.25 16.21 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.932 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.538 ' HB3' HD11 ' A' ' 105' ' ' LEU . 8.5 mp0 48.66 31.7 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.954 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.87 -40.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 62.32 110.903 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.01 127.23 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 70.41 110.893 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' A' ' 16' ' ' VAL . 45.3 mt -80.58 131.26 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 54.44 111.158 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.753 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.37 165.71 23.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.24 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.36 138.57 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 54.04 111.167 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.58 -49.31 3.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 92.2 m -160.94 109.67 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.174 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.487 HD11 ' OE2' ' A' ' 52' ' ' GLU . 11.7 tt -95.61 147.74 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 35.13 111.093 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA2' ' HB3' ' A' ' 55' ' ' ALA . . . -87.26 -92.95 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.71 -0.757 . . . . 75.44 112.476 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' OE2' HD11 ' A' ' 50' ' ' ILE . 3.9 mt-10 65.29 53.53 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.888 0.375 . . . . 73.13 110.894 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 51.64 29.84 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 71.34 110.908 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.98 -32.62 0.68 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 44.35 112.531 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.494 ' HB3' ' HA2' ' A' ' 51' ' ' GLY . . . -99.04 131.97 44.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.322 . . . . 34.41 111.124 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -93.08 173.37 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 55.44 110.883 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -69.89 -34.08 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.839 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -62.7 -47.87 81.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.856 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -72.77 -31.03 64.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.13 110.935 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.44 -48.82 73.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.891 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.7 mt -72.51 -41.79 63.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 71.15 111.117 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.39 -40.17 85.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 74.41 110.866 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.05 -54.03 8.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 64.04 111.112 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 36' ' ' ILE . 34.0 mm -63.35 124.9 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 70.34 111.098 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.34 -170.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.31 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 66.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.01 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.23 -63.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 63.2 110.902 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.7 m -80.99 152.79 71.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 74.34 111.133 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.639 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 131.4 21.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 53.02 112.32 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 88.5 m -147.21 142.29 27.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 72.53 110.885 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -122.54 130.23 52.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.92 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.502 ' CB ' HD12 ' A' ' 36' ' ' ILE . . . -113.44 121.37 44.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 73.34 111.12 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.85 110.12 22.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 51.14 111.151 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -113.56 127.39 56.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.14 124.39 39.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 63.53 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.06 111.66 18.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 52.32 110.883 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.44 134.91 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 65.43 110.895 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -153.26 176.04 12.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 55.14 110.925 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -102.72 62.72 0.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 65.03 111.156 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.1 m -77.66 -49.92 13.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 51.53 111.142 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -77.86 -35.59 50.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.889 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.04 -32.67 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 73.04 110.861 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.52 -77.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 63.35 112.452 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 73.72 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 54.02 112.37 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.24 149.39 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 73.15 110.851 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -144.21 134.59 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.14 110.874 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.27 121.81 32.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 60.33 110.879 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.621 HD21 ' CA ' ' A' ' 28' ' ' ARG . 7.9 mp -90.93 132.84 35.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 63.52 110.913 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.737 HG21 HG23 ' A' ' 136' ' ' ILE . 3.5 mm -118.23 148.31 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 54.51 111.106 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 tt -125.11 119.92 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.93 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.5 mp -117.05 127.2 74.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 75.32 111.102 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.38 128.96 53.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 61.53 110.84 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.752 ' CZ3' HD21 ' A' ' 131' ' ' LEU . 2.5 t90 -111.62 114.78 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 74.33 110.899 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 178.33 129.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 74.21 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.89 24.36 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.727 2.285 . . . . 61.24 112.355 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -59.98 -25.1 64.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 73.31 110.899 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.88 13.77 32.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 71.53 110.851 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.48 -98.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.746 . . . . 54.25 112.494 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -128.25 159.66 66.09 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 75.03 111.058 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.542 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 54.1 Cg_endo -69.72 -38.94 7.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 73.22 112.374 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -63.63 -45.24 91.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.53 110.872 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 99' ' ' ALA . 7.4 t -70.52 -37.46 74.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 52.24 111.159 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.25 -48.39 80.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.874 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.77 -46.82 57.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.895 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 42' ' ' GLN . 26.2 mt -55.1 -30.53 59.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.939 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -59.04 -33.83 71.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 71.52 110.895 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.6 t -91.33 -30.75 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.12 110.873 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.2 t -67.19 -42.5 84.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 54.41 110.884 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.3 p -83.32 -20.61 34.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 74.53 110.829 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -61.66 -39.33 91.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 73.43 110.857 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -43.8 95.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.914 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.35 -23.6 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 75.13 111.098 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.82 -17.33 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 61.23 110.956 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.578 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -60.83 -55.47 44.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.651 0.739 . . . . 70.52 111.098 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 -36.09 11.5 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 75.14 112.362 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -68.67 -47.52 66.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 72.05 110.91 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.418 HG22 HD13 ' A' ' 24' ' ' LEU . 23.7 p -111.43 49.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.15 111.166 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.26 138.92 32.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.42 110.963 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 94.88 10.11 57.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.79 -0.719 . . . . 55.22 112.477 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -123.78 120.08 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.759 0.314 . . . . 74.21 110.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -51.94 103.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.25 119.53 6.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 70.34 112.471 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.38 138.59 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 73.24 111.172 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -107.01 124.11 49.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 74.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.546 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.44 129.34 15.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 74.14 111.093 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -97.84 156.94 16.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 43.55 110.89 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 t70 64.07 -163.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.854 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.31 13.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 64.31 111.154 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.4 m -59.7 -23.49 63.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 75.31 110.841 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.603 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -104.64 28.82 13.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 55.34 112.487 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.752 HD21 ' CZ3' ' A' ' 93' ' ' TRP . 78.5 mt -141.07 20.99 2.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.828 0.346 . . . . 75.34 110.922 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -85.92 96.04 9.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.832 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -54.34 -38.19 65.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -57.49 -33.02 67.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.867 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -41.88 81.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.854 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.737 HG23 HG21 ' A' ' 89' ' ' ILE . 79.0 mt -67.09 -47.08 82.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 72.01 111.129 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.4 p -62.57 -39.51 93.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 43.53 110.866 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -69.07 -37.12 78.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 72.43 110.853 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.61 -48.35 72.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.899 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.83 -37.93 79.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 33.35 111.137 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.28 -34.21 75.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 73.4 110.916 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.86 -34.73 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.42 110.82 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 53.24 42.41 32.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.02 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 73.41 110.816 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.0 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.813 0.339 . . . . 71.12 110.86 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 54.17 37.33 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 62.02 111.048 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 ptp -156.76 50.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.873 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 m -137.13 -52.26 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 41.25 110.872 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 102.03 -20.59 44.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 65.32 112.427 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.663 ' CG2' HD22 ' A' ' 105' ' ' LEU . 42.8 t 60.29 103.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 61.3 111.125 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.81 137.25 38.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 64.04 110.89 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.641 ' HA ' HD12 ' A' ' 45' ' ' ILE . 6.8 p -73.14 127.81 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.131 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 45' ' ' ILE . . . -67.59 149.38 50.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 63.14 111.156 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -53.39 -36.96 62.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.292 -0.413 . . . . 73.33 110.821 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -36.88 71.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 71.51 110.887 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.0 m -68.78 -45.11 72.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.467 . . . . 74.43 110.886 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.612 HG13 HD11 ' A' ' 116' ' ' LEU . 21.6 t -59.33 -51.9 67.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.35 111.132 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -62.4 -42.49 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.142 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -57.85 -42.96 85.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.32 111.069 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.15 -41.96 76.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 53.04 110.898 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -46.18 83.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 51.04 110.848 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.78 -37.13 70.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 74.24 110.871 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.617 HD13 HG13 ' A' ' 35' ' ' VAL . 2.6 tp -59.22 -36.78 76.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 72.55 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.623 ' CA ' HD21 ' A' ' 88' ' ' LEU . 1.3 ptm180 -62.93 -24.55 67.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 65.5 110.885 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -101.4 20.3 16.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 72.22 110.859 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt 62.02 46.7 6.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 72.12 110.933 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -72.88 -38.54 66.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 54.41 110.898 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.55 -79.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.865 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' C ' HD11 ' A' ' 27' ' ' LEU . 1.3 tpt180 179.0 -67.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.86 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.75 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -143.72 144.65 31.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.953 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.726 HG12 HG13 ' A' ' 50' ' ' ILE . 16.1 m -130.99 116.03 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 50.34 111.153 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.5 mt -104.54 136.82 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 61.35 111.151 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.91 155.96 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 72.14 110.899 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.29 163.97 26.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 72.43 110.851 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.645 HD12 ' HG2' ' A' ' 69' ' ' PRO . 27.3 mt -87.01 129.24 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.44 111.112 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.494 HG21 ' HB3' ' A' ' 46' ' ' ALA . 94.8 t -114.67 128.35 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.4 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.75 15.91 8.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.868 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.638 ' CG ' HD11 ' A' ' 105' ' ' LEU . 0.3 OUTLIER 48.67 32.93 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.23 110.916 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.34 -40.97 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.03 110.896 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.7 127.32 48.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.884 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.641 HD12 ' HA ' ' A' ' 16' ' ' VAL . 57.9 mt -83.85 131.58 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 43.32 111.111 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.494 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -126.44 161.85 26.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 61.12 111.085 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.82 138.58 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.075 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -110.83 -57.19 2.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.3 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.633 HG21 ' HB1' ' A' ' 63' ' ' ALA . 48.6 p -149.36 99.32 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 71.53 111.157 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.726 HG13 HG12 ' A' ' 35' ' ' VAL . 19.0 tt -96.08 140.84 16.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 60.53 111.157 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.97 -171.83 22.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 65.43 112.487 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -158.82 -49.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.21 110.874 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 177.73 85.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.67 -15.99 1.08 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.733 . . . . 62.3 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.75 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -66.59 95.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 72.12 111.12 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -71.49 177.57 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 43.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.439 ' O ' HG22 ' A' ' 61' ' ' ILE . 44.8 p90 -69.56 -29.09 66.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.873 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -62.07 -47.27 85.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.23 110.866 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.82 -31.79 68.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.33 110.896 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -64.39 -51.75 61.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.886 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 57' ' ' PHE . 1.4 tt -70.35 -35.51 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 55.24 111.175 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.62 -39.33 94.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 71.33 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.633 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -75.29 -53.91 7.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 70.21 111.08 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.6 147.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 75.34 111.107 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -136.09 114.55 11.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 62.02 110.872 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 105.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 70.01 110.913 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG21 ' A' ' 102' ' ' THR . 2.8 t-20 179.91 -72.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.947 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 16.3 m -81.59 154.7 71.24 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 63.14 111.151 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.645 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.1 Cg_endo -69.71 110.58 2.58 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.678 2.252 . . . . 75.34 112.37 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 77.9 m -130.27 151.83 50.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.282 -0.417 . . . . 74.21 110.92 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -128.85 130.03 46.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 74.22 110.915 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -117.08 127.28 53.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 63.45 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.54 115.31 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 51.12 111.125 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -111.47 127.25 55.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.943 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 119.66 37.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 62.44 110.912 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -133.09 130.63 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 72.33 110.873 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.71 147.29 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.844 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -151.41 175.99 11.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.922 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 t -106.08 61.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.9 m -77.5 -49.81 13.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 73.23 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -77.85 -35.57 50.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 73.24 110.844 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 177.37 -33.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.841 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.11 -77.48 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 74.11 112.499 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 74.22 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.733 2.289 . . . . 71.13 112.328 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.32 149.36 48.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 73.34 110.9 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -127.34 134.56 49.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.13 110.898 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -132.7 133.84 44.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 71.52 110.887 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.623 HD21 ' CA ' ' A' ' 28' ' ' ARG . 5.6 mp -108.5 129.51 55.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.5 110.93 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.498 HG21 HD12 ' A' ' 136' ' ' ILE . 3.4 mp -115.12 152.68 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.44 111.116 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.58 120.77 31.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 42.33 110.876 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD11 ' A' ' 136' ' ' ILE . 3.7 mp -117.01 128.97 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 75.2 111.175 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 41.7 t -130.03 139.15 51.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 72.05 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -106.56 115.22 29.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.908 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -151.81 90.33 3.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.729 . . . . 72.14 110.949 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 132.65 23.74 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 64.14 112.377 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -57.89 -25.2 60.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 p -94.47 12.99 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 52.45 110.808 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -86.03 -88.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 54.12 112.471 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.89 150.64 43.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 74.43 111.114 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.99 9.83 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.711 2.274 . . . . 70.4 112.327 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 mmt85 -67.84 -36.0 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.871 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' N ' ' A' ' 69' ' ' PRO . 97.3 m -68.05 -46.08 72.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 64.21 111.138 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -67.62 -39.17 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.925 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -48.26 49.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 64.44 110.838 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.663 HD22 ' CG2' ' A' ' 14' ' ' VAL . 25.7 mt -56.94 -29.94 63.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 52.23 110.909 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -58.58 -49.02 78.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.209 -0.451 . . . . 62.41 110.929 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -29.47 67.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 73.54 110.837 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.9 m -67.41 -23.9 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 75.52 110.843 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.25 -23.49 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.02 110.905 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 114' ' ' VAL . 11.2 ttt180 -65.19 -39.49 92.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 72.42 110.892 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -62.13 -43.66 98.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 74.31 110.91 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -22.85 44.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.04 111.119 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 18.7 mt -83.43 -22.93 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.9 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -55.21 -55.55 38.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 51.34 111.103 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.78 -34.79 13.81 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.698 2.265 . . . . 64.44 112.357 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.612 HD11 HG13 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.67 -41.13 88.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 54.31 110.891 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.4 p -101.6 61.85 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.11 111.135 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 125.24 22.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 70.33 110.933 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.02 53.23 19.76 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 45.02 112.483 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -127.61 158.23 38.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 73.33 110.867 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -102.43 82.9 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 73.03 110.897 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -86.36 116.51 4.42 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 52.23 112.465 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.9 mt -131.45 132.53 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 63.13 111.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.82 116.86 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.929 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.421 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.81 142.79 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.122 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -97.65 155.99 16.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 64.2 -160.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.879 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.29 -26.02 10.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.44 111.176 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.5 m -59.88 -24.97 64.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.848 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.421 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.12 42.48 1.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 74.02 112.495 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -175.33 32.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 73.3 110.894 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -89.33 106.53 18.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 73.22 110.857 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -52.03 -47.67 64.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.926 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -57.48 -33.43 67.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 75.02 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -68.79 -40.59 79.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 73.44 110.914 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.498 HD12 HG21 ' A' ' 89' ' ' ILE . 42.6 mm -67.05 -47.03 83.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.13 111.121 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -64.48 -37.92 89.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.858 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -38.0 79.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 75.21 110.855 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -48.68 67.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 74.53 110.85 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.5 p -68.07 -37.85 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 63.21 111.132 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -71.56 -32.34 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 71.45 110.909 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 29.8 t -82.0 -31.19 31.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.32 110.864 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 56.83 47.23 18.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 72.14 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.833 0.349 . . . . 74.35 110.894 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.65 152.48 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 31.31 111.128 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 mpt? 52.12 83.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.896 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 65.3 110.886 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 174.94 84.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.716 -0.754 . . . . 65.25 112.505 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.7 140.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 72.11 111.109 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.93 137.76 22.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 74.54 110.826 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.684 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.5 p -73.31 125.99 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 75.15 111.124 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.8 160.73 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 53.51 111.062 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.19 -39.98 70.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.51 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.9 -41.13 81.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.02 110.89 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -66.09 -44.91 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 75.34 110.932 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.056 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.64 -46.91 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.108 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 m -65.03 -42.38 94.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.149 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.0 -46.39 85.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 44.34 111.147 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 117' ' ' THR . 79.5 mt -67.69 -40.24 84.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.907 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -58.02 -45.81 86.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.12 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.72 -37.08 70.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.87 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD13 HG23 ' A' ' 35' ' ' VAL . 11.6 tp -57.98 -44.64 87.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.803 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -63.81 -24.16 67.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.884 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.66 20.15 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 63.32 110.858 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.95 46.63 16.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 64.44 110.915 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.96 -64.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.896 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.47 -76.72 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.841 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -179.94 -64.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.871 -179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.616 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -145.03 148.39 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 70.51 110.923 -179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.727 HG23 HD13 ' A' ' 27' ' ' LEU . 21.6 t -130.95 122.6 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.109 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.89 129.94 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.16 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 mpp? -131.04 152.99 49.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.13 110.886 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -133.31 163.76 28.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.726 HD12 ' HG2' ' A' ' 69' ' ' PRO . 57.7 mt -85.71 124.73 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 62.02 111.155 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' A' ' 46' ' ' ALA . 96.7 t -114.06 139.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.108 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 42' ' ' GLN . 18.9 t0 56.64 23.22 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 73.22 110.892 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' ASP . 16.8 pt20 38.34 47.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 71.13 110.921 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -165.23 -38.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.1 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.2 m -122.96 127.07 48.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 41.54 110.833 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 16' ' ' VAL . 46.8 mt -82.11 131.17 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.488 . . . . 74.12 111.139 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.693 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -125.32 165.32 18.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 70.25 111.083 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.01 135.94 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 55.25 111.125 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -50.61 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 m -160.66 105.7 1.43 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.442 . . . . 74.45 111.139 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.415 HG13 HG13 ' A' ' 35' ' ' VAL . 20.4 tt -95.89 147.6 5.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.138 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.34 179.74 21.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 75.2 112.526 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 179.06 71.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 65.13 110.867 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 52.27 33.75 13.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.879 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.56 -39.5 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.749 -0.739 . . . . 41.34 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.616 ' HB3' ' HE1' ' A' ' 34' ' ' TYR . . . -55.78 107.7 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 72.52 111.067 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -71.72 162.66 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.52 110.899 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -65.64 -37.4 86.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.872 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.24 -46.54 89.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.171 -0.468 . . . . 54.01 110.87 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -69.76 -31.51 69.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 63.25 110.912 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' O ' HG22 ' A' ' 64' ' ' ILE . 9.3 t80 -65.97 -46.53 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.915 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' HA ' HG22 ' A' ' 64' ' ' ILE . 43.8 mm -71.05 -44.23 75.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 63.13 111.122 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -59.41 -40.49 86.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.43 110.908 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.36 -53.22 14.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 71.11 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 60' ' ' PHE . 14.3 tt -68.85 146.9 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 64.3 111.176 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.48 118.05 28.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.868 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -69.35 90.6 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.961 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -179.33 -74.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.89 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -59.65 155.28 40.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 62.31 111.116 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.726 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.7 87.08 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.721 2.281 . . . . 75.03 112.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.426 ' SG ' HD11 ' A' ' 64' ' ' ILE . 17.9 p -109.96 156.12 20.88 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.216 -0.447 . . . . 50.13 110.854 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.515 ' HD2' HD21 ' A' ' 90' ' ' LEU . 59.0 m-85 -128.76 130.19 46.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 73.14 110.881 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.2 126.27 53.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 72.45 111.122 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.52 136.07 46.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -137.44 127.58 26.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.895 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.08 125.55 40.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 65.4 110.836 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -139.16 135.85 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.827 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.95 147.32 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 72.44 110.918 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.2 175.97 9.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.914 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.3 t -120.37 50.99 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 73.53 111.153 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 81' ' ' ASN . 8.9 t -77.61 -41.08 39.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.148 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.405 ' N ' HG23 ' A' ' 80' ' ' THR . 20.0 t-20 -78.75 -36.63 42.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.876 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t70 178.22 -43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 64.2 110.83 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.89 -78.48 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.814 -0.708 . . . . 73.1 112.512 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 73.03 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.678 2.252 . . . . 55.11 112.315 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 149.29 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 71.45 110.849 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.53 134.61 48.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.851 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.32 134.19 28.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.01 110.878 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -108.81 133.0 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.43 110.919 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.511 HG22 ' HB2' ' A' ' 121' ' ' GLN . 0.0 OUTLIER -114.84 160.52 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 60.04 111.128 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.515 HD21 ' HD2' ' A' ' 71' ' ' TYR . 8.7 tt -135.54 125.98 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 64.32 110.911 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.04 129.8 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 61.41 111.094 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.41 138.36 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.51 110.832 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.429 ' CZ2' HD21 ' A' ' 131' ' ' LEU . 28.4 m0 -102.86 115.07 29.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 75.52 110.944 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -163.13 92.27 1.18 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 72.13 110.866 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 139.43 40.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.673 2.249 . . . . 70.15 112.33 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.56 -22.93 47.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.85 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.4 m -102.53 13.64 34.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 61.54 110.865 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.53 -89.67 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 51.45 112.466 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.633 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -144.79 152.14 51.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.601 0.715 . . . . 41.12 111.084 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.69 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.704 2.269 . . . . 54.22 112.314 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.554 ' O ' HD13 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -62.7 -39.18 93.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.2 110.889 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.633 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.0 p -63.41 -45.84 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.5 111.177 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -57.79 -44.91 86.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.891 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.61 -42.7 67.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.901 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.5 mp -55.04 -29.52 57.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 61.14 110.902 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -58.63 -49.14 78.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.928 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.7 -26.59 61.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 70.2 110.861 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.4 t -67.35 -21.93 65.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 54.21 110.858 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.29 -19.38 13.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.86 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.1 -42.58 99.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 73.35 110.835 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.14 -36.34 82.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 64.1 110.9 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.25 -22.97 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.103 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -25.98 31.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.02 -55.6 29.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 72.44 111.102 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.9 Cg_endo -69.78 -30.45 22.17 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.652 2.234 . . . . 62.44 112.374 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.056 HD11 HG22 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -66.26 -34.29 77.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 64.04 110.939 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.9 p -126.61 64.77 1.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 71.21 111.109 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.53 122.4 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 72.33 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 81.82 45.83 7.03 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 60.45 112.493 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -123.31 158.34 31.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.818 0.342 . . . . 72.44 110.871 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.511 ' HB2' HG22 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -103.87 89.89 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 75.24 110.956 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -89.97 113.35 4.18 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.698 -0.763 . . . . 34.45 112.494 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.44 138.51 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 70.22 111.127 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -108.04 118.72 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.516 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.92 129.45 14.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 63.45 111.095 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -98.76 157.51 16.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.842 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.3 -163.99 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.32 110.84 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.21 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 72.14 111.157 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -23.31 63.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.1 110.855 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.569 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -105.71 16.38 43.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 34.41 112.476 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 130' ' ' GLY . 8.4 mt -130.01 23.69 5.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.819 0.343 . . . . 74.33 110.896 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.31 95.97 9.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.844 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -52.07 -41.1 62.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.887 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.6 -31.8 66.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.44 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -68.71 -44.28 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.885 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.19 -47.17 88.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 72.4 111.133 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 50.1 p -62.81 -40.12 96.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 61.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.56 -36.13 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 73.45 110.851 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -67.29 -48.39 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 65.2 110.883 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.99 -37.92 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.108 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -66.76 -28.4 68.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 61.03 110.939 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.8 t -88.25 -31.36 19.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.87 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 56.26 30.56 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 53.21 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.45 110.87 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 17.5 ptp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.81 0.338 . . . . 75.22 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.5 32.36 5.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 73.33 111.106 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.5 mmm 59.05 -175.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.884 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 t -178.03 89.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 75.52 110.827 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.92 -30.86 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 63.3 112.509 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.1 p -51.2 122.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 71.15 111.112 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.6 145.62 33.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 62.14 110.846 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.71 HG21 ' HG ' ' A' ' 116' ' ' LEU . 6.4 p -73.39 122.28 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 75.31 111.182 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -79.07 156.13 28.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.085 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -53.48 -29.8 37.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 63.25 110.884 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 3.0 pt-20 -60.31 -41.85 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.02 110.912 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.46 -45.13 80.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 64.53 110.862 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.934 HG22 HD11 ' A' ' 116' ' ' LEU . 21.7 t -58.69 -45.72 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 60.42 111.174 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.3 m -65.87 -43.12 89.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 74.44 111.098 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.36 87.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 55.52 111.11 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD11 ' HE3' ' A' ' 37' ' ' MET . 11.0 mt -69.0 -41.19 78.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -45.99 84.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.12 110.907 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.63 -37.97 70.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 73.23 110.902 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.046 HD13 HG13 ' A' ' 35' ' ' VAL . 5.1 tp -59.01 -36.89 75.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.918 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.618 ' HA ' HD11 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -62.9 -24.6 67.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 71.44 110.86 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -96.86 17.6 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm 62.12 46.87 6.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.921 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -32.65 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.02 110.886 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.69 -84.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 52.55 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -153.14 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.2 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.754 ' HA ' HD11 ' A' ' 27' ' ' LEU . 33.5 p90 -144.57 155.68 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.02 110.905 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.046 HG13 HD13 ' A' ' 27' ' ' LEU . 31.4 m -126.87 124.47 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 72.54 111.136 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.93 HG21 HD11 ' A' ' 64' ' ' ILE . 18.2 mt -110.34 124.25 66.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 61.13 111.131 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.427 ' HE3' HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -127.21 155.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.89 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -137.22 168.27 19.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 64.42 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.611 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.1 mt -85.72 126.44 40.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.123 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.801 HG21 ' HB3' ' A' ' 46' ' ' ALA . 61.8 t -109.46 129.01 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.112 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 62.36 16.14 8.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.865 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 48.81 31.4 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.933 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.01 -41.33 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.893 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.93 126.89 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 51.52 110.86 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 16' ' ' VAL . 76.1 mt -80.66 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 72.22 111.127 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -133.38 159.21 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.089 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.3 m -77.11 138.35 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 52.01 111.143 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.6 -44.39 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 70.54 110.891 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 90.7 m -161.46 119.62 2.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 73.52 111.126 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.7 pt -101.32 147.75 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.24 111.118 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.35 133.74 11.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 62.42 112.486 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -121.67 45.68 2.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 74.13 110.875 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm180 63.04 16.34 9.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.899 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -137.83 6.29 3.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 63.23 112.503 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.42 112.62 15.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 70.05 111.15 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.49 164.15 26.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.884 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -69.36 -41.05 77.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.891 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.42 -46.94 76.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 54.15 110.889 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -70.15 -31.48 69.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -63.06 -47.53 82.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.882 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.87 -35.61 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 35.22 111.135 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.79 -40.75 96.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 61.01 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.98 -51.44 9.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.074 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.93 HD11 HG21 ' A' ' 36' ' ' ILE . 39.8 mm -67.79 132.77 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.32 111.102 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -119.51 117.36 28.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.872 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -66.08 90.1 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.89 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -179.33 -74.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 71.02 110.912 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.4 m -64.53 154.71 83.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.652 0.739 . . . . 61.35 111.097 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.611 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.75 118.91 5.96 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.721 2.281 . . . . 74.14 112.335 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 42.7 m -140.67 149.71 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 54.4 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -129.16 131.46 47.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 73.24 110.919 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -123.48 126.76 47.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 71.35 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.79 127.55 53.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 63.41 111.117 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -115.3 127.46 55.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 75.02 110.878 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.09 120.55 39.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.843 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -117.73 119.14 34.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 51.25 110.903 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -125.6 122.02 35.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.842 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -153.42 176.12 12.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.89 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -131.2 48.51 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 74.33 111.106 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.5 m -78.63 -45.55 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 65.04 111.14 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 92.7 m-20 -55.62 -39.02 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 73.43 110.896 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 81' ' ' ASN . 0.6 OUTLIER 167.46 -47.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.858 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -122.1 166.33 14.78 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 73.54 112.498 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 101.29 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.681 2.254 . . . . 53.23 112.366 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.27 175.23 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 72.54 110.869 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -145.19 134.55 23.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 43.13 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.612 ' HG2' HG23 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -134.7 140.58 46.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.884 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 28' ' ' ARG . 7.4 mp -107.93 132.12 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 63.44 110.93 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.664 HG21 HD12 ' A' ' 136' ' ' ILE . 4.1 mm -114.93 148.25 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 71.13 111.125 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.1 tt -128.59 120.12 26.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.945 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.49 122.25 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.12 111.145 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.4 133.79 45.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.851 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HH2' HD23 ' A' ' 131' ' ' LEU . 57.7 m95 -99.17 115.51 29.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.957 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.77 86.44 1.09 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 75.4 110.898 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 132.4 23.26 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.619 2.213 . . . . 75.24 112.368 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -58.11 -25.03 60.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 61.23 110.87 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.6 m -98.73 13.25 32.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.865 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.36 -110.75 0.23 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 70.42 112.447 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.757 ' HB3' HG23 ' A' ' 102' ' ' THR . . . -128.08 160.04 63.72 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 63.11 111.117 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.9 Cg_endo -69.71 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 64.25 112.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.3 mtt-85 -63.82 -35.77 81.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.757 HG23 ' HB3' ' A' ' 99' ' ' ALA . 30.1 p -64.59 -45.57 86.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 51.12 111.128 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -68.23 -37.77 81.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 70.51 110.919 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 1.3 tpt -70.06 -48.03 59.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -56.38 -30.16 62.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 64.11 110.899 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -60.96 -41.73 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 62.11 110.91 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.8 t -77.44 -39.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.7 m -66.02 -25.14 66.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 60.33 110.863 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 t -100.56 -20.57 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 63.13 110.889 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -61.36 -39.23 89.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.87 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -41.27 99.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.866 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -24.45 43.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.49 -24.9 31.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.21 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.585 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -51.9 -55.41 30.73 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 73.02 111.109 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.43 12.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.656 2.238 . . . . 75.41 112.394 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.934 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.45 -32.62 74.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 61.25 110.946 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.2 p -129.94 51.83 2.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 74.11 111.116 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -85.38 123.34 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 61.21 110.898 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 115.06 8.36 15.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 54.31 112.465 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.409 ' CZ ' HD22 ' A' ' 88' ' ' LEU . 5.1 m-85 -123.86 141.55 51.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 73.45 110.913 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -62.66 94.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 72.53 110.896 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.42 112.96 4.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 74.32 112.455 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.408 HD13 ' HD3' ' A' ' 139' ' ' LYS . 2.1 mp -131.37 134.89 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 74.31 111.132 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 118.5 33.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 63.15 110.923 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.01 134.8 20.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 73.51 111.092 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -109.06 156.59 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.4 110.884 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.3 t0 63.14 -162.78 0.28 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 74.25 110.843 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -26.14 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 70.32 111.142 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -24.09 63.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 73.41 110.819 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.98 1.06 38.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 63.43 112.464 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' HH2' ' A' ' 93' ' ' TRP . 9.7 mt -114.3 23.58 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 73.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -86.55 97.82 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.841 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -54.34 -40.75 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 61.4 110.833 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -57.43 -33.96 68.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 72.2 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.39 -40.47 85.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.874 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.664 HD12 HG21 ' A' ' 89' ' ' ILE . 48.3 mm -67.97 -47.27 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 72.41 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.6 m -61.9 -40.41 95.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 71.11 110.851 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -69.45 -36.44 76.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.408 ' HD3' HD13 ' A' ' 123' ' ' ILE . 6.5 mttp -64.66 -48.66 73.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 71.2 110.885 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.3 p -67.86 -37.9 79.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.154 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -70.66 -30.87 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 63.44 110.892 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 45.2 t -68.97 -36.95 78.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.857 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.23 28.99 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 61.33 110.9 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.841 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.9 ptm . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 74.32 110.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.22 33.24 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.23 111.069 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.0 mmt -52.1 -31.37 30.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 75.14 110.843 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 m 53.24 87.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.899 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.6 25.99 0.15 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.747 -0.74 . . . . 74.45 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.491 HG21 ' HB3' ' A' ' 109' ' ' SER . 9.3 p -51.12 136.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 74.31 111.112 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.06 137.62 18.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 63.44 110.885 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.672 ' HA ' HD12 ' A' ' 45' ' ' ILE . 7.4 p -75.8 124.68 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.131 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.91 160.69 28.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 61.41 111.133 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -58.03 -36.76 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 71.04 110.878 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.43 -41.86 81.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.917 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -64.1 -44.97 90.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.919 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.717 HG22 HD11 ' A' ' 116' ' ' LEU . 21.9 t -58.7 -51.85 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 63.24 111.08 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -59.67 -43.09 94.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 64.0 111.173 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.36 83.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 64.22 111.1 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 35' ' ' VAL . 1.0 OUTLIER -63.08 -42.97 99.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 73.24 110.894 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.1 -45.85 86.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.903 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.38 -41.53 89.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 74.41 110.892 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.971 HD13 HG13 ' A' ' 35' ' ' VAL . 5.8 tp -60.46 -36.08 77.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 64.31 110.91 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.9 mtt180 -63.46 -25.44 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -100.3 20.3 15.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.856 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp 60.44 46.64 9.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.884 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.8 -32.67 71.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 72.24 110.911 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.0 -76.95 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.843 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 tpt85 -175.91 -68.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.882 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.778 ' HA ' HD21 ' A' ' 27' ' ' LEU . 2.4 p90 -144.84 152.34 40.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.893 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.971 HG13 HD13 ' A' ' 27' ' ' LEU . 27.8 m -130.32 124.82 58.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 60.24 111.112 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.6 mt -103.02 128.32 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 71.13 111.145 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -120.46 148.25 44.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.864 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -128.37 151.4 49.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 75.3 110.859 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 69' ' ' PRO . 49.7 mt -84.81 122.07 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.14 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.549 ' CG2' ' HB3' ' A' ' 46' ' ' ALA . 88.4 t -105.93 135.19 45.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 70.01 111.116 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 42' ' ' GLN . 53.2 m-20 50.98 32.57 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 65.11 110.889 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.557 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 30.16 52.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 72.12 110.908 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -164.25 -38.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 63.11 110.936 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.7 m -125.22 127.16 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 54.32 110.893 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.672 HD12 ' HA ' ' A' ' 16' ' ' VAL . 73.3 mt -81.69 131.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.175 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . . . -129.6 157.26 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 73.45 111.103 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.06 133.55 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.114 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -102.24 -56.85 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.931 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 98.4 m -161.37 112.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 60.43 111.17 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.729 HG13 HG12 ' A' ' 35' ' ' VAL . 14.7 tt -96.25 144.69 9.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.54 111.128 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.97 -168.3 33.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 53.35 112.509 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -174.09 46.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 74.53 110.886 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 73.89 -61.1 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 73.44 110.924 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.6 -12.84 57.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 74.32 112.486 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.698 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -51.31 116.8 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 74.24 111.083 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -78.22 167.63 21.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.873 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.53 -32.96 72.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.25 110.899 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -58.22 -46.98 84.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 73.25 110.871 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -65.98 -36.69 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 52.54 110.921 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.439 ' CE1' HG21 ' A' ' 64' ' ' ILE . 7.9 t80 -61.98 -48.06 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 60.1 110.898 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.4 mm -66.61 -43.63 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 71.32 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.47 -37.86 79.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 60.33 110.888 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.26 -55.41 8.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 72.34 111.075 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.439 HG21 ' CE1' ' A' ' 60' ' ' PHE . 2.1 pp -68.92 134.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 63.43 111.128 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -123.27 123.32 40.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 64.21 110.868 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -72.37 79.22 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 72.14 110.914 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -179.53 -57.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.88 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.8 m -84.42 153.08 61.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 72.02 111.098 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.526 ' HG3' HD23 ' A' ' 105' ' ' LEU . 53.2 Cg_endo -69.81 115.26 4.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.661 2.24 . . . . 73.13 112.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.8 p -140.38 141.97 35.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.875 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.668 ' OH ' HG21 ' A' ' 45' ' ' ILE . 50.5 p90 -129.17 129.52 45.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.945 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.69 133.22 56.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 71.11 111.126 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 88' ' ' LEU . . . -106.81 126.12 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.23 111.107 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -113.6 127.37 56.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.889 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.31 120.15 39.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.55 110.864 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -121.56 166.68 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.11 110.854 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -111.41 147.2 35.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 75.03 110.919 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -150.58 176.0 11.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 71.43 110.934 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 t -128.54 50.9 2.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 61.4 111.116 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -77.54 -39.22 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 72.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -78.46 -36.3 45.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.29 -43.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 61.34 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -168.54 -77.94 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 71.34 112.518 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 74.03 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.687 2.258 . . . . 63.25 112.4 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.5 149.35 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 71.34 110.835 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -138.49 135.41 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.841 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 136.59 44.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 50.54 110.881 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -108.53 134.36 51.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.923 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.8 mp -116.77 150.64 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.092 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 tp -117.03 119.01 33.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.921 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.8 130.06 73.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.129 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 138.44 38.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 63.02 110.909 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -120.78 114.84 22.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.899 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.5 t30 178.96 140.35 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.649 0.738 . . . . 70.44 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 132.5 23.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 62.24 112.35 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -20.42 65.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 70.31 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -108.74 13.84 24.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 41.54 110.855 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 -98.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 72.35 112.51 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.616 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -124.2 159.8 55.34 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.605 0.717 . . . . 72.31 111.047 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.77 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.633 2.222 . . . . 74.45 112.338 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.469 ' NE ' HG23 ' A' ' 102' ' ' THR . 4.4 ppt_? -68.29 -41.37 81.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 64.52 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.616 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 66.4 p -65.33 -43.99 89.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 61.42 111.14 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.9 tptp -57.89 -48.16 80.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 73.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -31.57 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.871 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.526 HD23 ' HG3' ' A' ' 69' ' ' PRO . 0.9 OUTLIER -55.18 -30.15 59.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 70.2 110.903 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.1 -42.19 89.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.941 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 -39.54 21.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 72.13 110.811 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -28.13 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 65.05 110.842 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.491 ' HB3' HG21 ' A' ' 14' ' ' VAL . 51.7 p -99.34 -24.59 14.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 61.41 110.881 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.29 -39.38 72.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 63.13 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -42.05 97.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 53.24 110.856 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.99 -22.99 44.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 71.24 111.116 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.39 -24.79 31.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.21 110.883 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.586 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -52.89 -55.33 34.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 63.02 111.158 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.3 Cg_endo -69.77 -33.13 17.18 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 54.11 112.323 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.717 HD11 HG22 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -66.43 -45.59 79.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.33 110.858 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 24' ' ' LEU . 9.5 p -109.74 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 73.31 111.101 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.63 122.49 27.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 75.12 110.959 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 109.4 6.56 29.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 60.1 112.467 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -128.87 157.09 42.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 52.12 110.88 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -101.65 137.58 39.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.94 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.78 120.53 4.95 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 54.52 112.566 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 2.2 mp -131.41 136.11 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.744 0.307 . . . . 74.45 111.178 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -107.76 126.86 53.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.03 110.936 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.596 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.51 131.17 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 61.3 111.087 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -97.76 156.02 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 72.24 110.873 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.26 -163.62 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.893 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.65 -26.27 13.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 45.02 111.122 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -23.23 63.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 60.54 110.871 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.596 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -105.28 31.56 8.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 54.53 112.482 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 130' ' ' GLY . 15.4 mt -146.67 22.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 71.12 110.91 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -80.64 96.02 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 71.54 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.05 -44.35 67.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 73.14 110.926 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -57.49 -33.27 67.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 74.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -40.98 83.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.883 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 49.8 mm -67.76 -47.18 80.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.11 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.37 -39.74 94.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 73.31 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -37.11 77.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 71.34 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -65.06 -48.44 73.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 7.2 p -67.89 -37.79 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.136 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.81 -35.69 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.01 110.859 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 13.4 t -68.09 -33.71 75.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 75.51 110.837 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 62.25 47.01 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 74.53 110.892 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 74.24 110.887 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.728 0.299 . . . . 65.32 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.606 ' HB1' ' CE ' ' A' ' 11' ' ' MET . . . -116.52 113.06 22.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 65.11 111.094 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.606 ' CE ' ' HB1' ' A' ' 10' ' ' ALA . 3.4 mtm 56.01 29.99 15.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.848 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -167.23 73.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 25.44 110.847 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.74 -30.27 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 64.44 112.481 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.755 HG21 ' OG ' ' A' ' 109' ' ' SER . 5.1 p -51.06 122.47 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 74.35 111.116 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.7 p -142.98 137.56 29.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 51.22 110.867 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.623 HG11 ' CD2' ' A' ' 116' ' ' LEU . 6.6 p -73.53 122.86 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 74.11 111.106 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.85 155.42 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.41 111.105 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.31 -36.89 74.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.854 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -57.81 -37.76 74.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.879 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -68.7 -45.05 72.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 65.1 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.836 HG22 HD11 ' A' ' 116' ' ' LEU . 22.1 t -58.71 -52.25 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 70.45 111.179 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.3 m -62.86 -41.25 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 65.22 111.174 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.86 86.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 55.21 111.113 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 mt -69.46 -41.57 76.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.907 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.07 -46.21 82.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.888 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -71.49 -41.28 69.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.851 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD13 HG13 ' A' ' 35' ' ' VAL . 1.1 tp -55.93 -35.29 66.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.43 110.924 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -62.48 -24.9 67.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 73.04 110.881 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.84 19.1 15.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 65.11 110.847 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt 62.04 47.01 6.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 72.14 110.864 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -30.12 65.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 52.04 110.886 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 -78.85 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.843 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 179.17 -72.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 71.34 110.911 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.699 ' CE1' ' HB3' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -135.56 141.4 45.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.921 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.661 HG12 HG13 ' A' ' 50' ' ' ILE . 15.7 m -127.67 118.73 49.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 70.43 111.159 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.5 mt -108.52 137.04 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 75.53 111.148 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.99 156.08 49.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 72.02 110.852 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -133.22 165.12 25.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.851 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.596 HD12 ' CG ' ' A' ' 69' ' ' PRO . 17.1 mt -85.82 126.07 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 74.22 111.126 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 46' ' ' ALA . 88.8 t -108.85 132.8 55.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 75.13 111.069 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.503 ' O ' ' C ' ' A' ' 42' ' ' GLN . 1.0 OUTLIER 51.18 33.95 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 70.22 110.898 179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.561 ' N ' HE21 ' A' ' 42' ' ' GLN . 0.0 OUTLIER 29.43 54.35 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.12 110.924 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -164.6 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.83 127.33 41.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.13 110.86 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.437 HD12 HG12 ' A' ' 39' ' ' ILE . 29.3 mm -81.46 131.48 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 74.3 111.149 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.627 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -129.87 166.02 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 74.54 111.117 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -76.19 138.57 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.103 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tptp -109.8 -56.59 2.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 63.34 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.564 HG21 ' HB1' ' A' ' 63' ' ' ALA . 56.1 p -150.04 101.05 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 64.51 111.142 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.661 HG13 HG12 ' A' ' 35' ' ' VAL . 14.4 tt -96.62 139.37 19.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 75.34 111.197 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.46 -171.12 22.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 43.21 112.505 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.98 -51.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 63.31 110.895 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mtp85 179.1 33.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 74.54 110.875 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -158.12 21.09 0.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 73.04 112.463 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.699 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . . . -96.89 99.72 11.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 74.32 111.097 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -71.59 170.66 12.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -69.42 -33.79 73.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 73.12 110.926 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -59.69 -47.03 87.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.34 110.911 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -68.52 -31.56 70.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.902 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.633 ' O ' HG22 ' A' ' 64' ' ' ILE . 41.4 t80 -65.31 -50.03 67.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' HA ' HG22 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.68 -36.16 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 74.54 111.153 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -40.47 96.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.824 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.564 ' HB1' HG21 ' A' ' 49' ' ' THR . . . -72.92 -52.09 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.4 111.094 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 60' ' ' PHE . 20.4 tt -72.19 147.35 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.23 111.133 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.42 131.52 41.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 61.51 110.87 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 88.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 71.42 110.949 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.46 -74.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 70.45 110.904 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.1 m -69.94 152.41 95.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.617 0.722 . . . . 71.11 111.123 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.596 ' CG ' HD12 ' A' ' 39' ' ' ILE . 54.2 Cg_endo -69.68 147.31 63.12 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.729 2.286 . . . . 71.32 112.337 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.1 p -174.7 148.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 73.35 110.889 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 90' ' ' LEU . 44.6 m-85 -128.99 134.32 48.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.91 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -119.75 116.52 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.503 . . . . 74.02 111.079 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.65 109.52 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 62.05 111.102 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 89' ' ' ILE . 34.4 p90 -113.44 141.17 47.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 72.11 110.877 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -91.74 124.43 35.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 60.34 110.886 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.45 174.37 7.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.902 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -112.11 147.32 36.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 61.23 110.901 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -148.28 164.59 33.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 71.42 110.935 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 t -119.82 50.32 1.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 42.3 111.129 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 81' ' ' ASN . 8.7 t -77.26 -40.92 42.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.175 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 80' ' ' THR . 28.4 t-20 -78.71 -35.7 44.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.21 110.878 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 176.62 -42.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 63.31 110.88 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.47 -79.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 64.31 112.506 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 72.43 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 61.13 112.363 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -119.49 149.38 41.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 74.53 110.88 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -113.19 134.57 54.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.885 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.21 122.42 12.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 75.41 110.965 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.5 mp -99.36 138.01 37.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 72.53 110.921 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.598 HD13 ' CZ ' ' A' ' 74' ' ' PHE . 3.2 mp -119.21 148.98 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 61.43 111.13 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 71' ' ' TYR . 5.8 tp -124.92 119.9 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.927 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.7 mt -109.06 125.52 66.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.112 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.8 138.77 44.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.823 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.86 115.31 27.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.925 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -151.9 79.37 6.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.594 0.711 . . . . 53.2 110.865 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.24 22.9 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.692 2.261 . . . . 65.34 112.356 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -58.46 -21.9 52.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.845 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.1 m -104.0 13.67 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.811 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.69 -103.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 34.45 112.469 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 102' ' ' THR . . . -145.2 159.94 47.47 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.568 0.699 . . . . 73.31 111.105 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.8 -38.17 8.09 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 75.41 112.355 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.604 ' O ' HD13 ' A' ' 105' ' ' LEU . 2.5 mtm180 -68.09 -44.81 75.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 74.34 110.87 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.674 HG22 ' HB3' ' A' ' 99' ' ' ALA . 8.0 t -69.38 -39.58 77.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.22 111.15 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -58.01 -48.29 80.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.898 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.73 -38.86 70.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.882 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD13 ' O ' ' A' ' 101' ' ' ARG . 3.0 mp -55.06 -36.26 65.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.431 . . . . 74.14 110.89 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.05 -42.23 89.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.22 110.931 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -38.61 58.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 63.35 110.828 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.16 -24.41 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 63.13 110.906 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.755 ' OG ' HG21 ' A' ' 14' ' ' VAL . 3.3 m -101.7 -19.95 15.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 60.04 110.857 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 114' ' ' VAL . 1.2 mtm180 -63.2 -39.38 94.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 71.4 110.906 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -38.19 90.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.53 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.08 40.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 73.44 111.126 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.17 -22.28 33.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 63.31 110.94 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -53.11 -55.62 32.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.656 0.741 . . . . 73.42 111.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.77 -32.63 18.17 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 64.43 112.341 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.836 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.41 -48.05 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.929 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.9 p -110.71 62.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 63.45 111.157 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -85.46 122.7 29.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.907 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 114.13 -41.08 2.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 50.01 112.48 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -71.04 135.43 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 62.04 110.918 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.438 ' HB3' HD11 ' A' ' 123' ' ' ILE . 2.9 mp0 -64.22 96.09 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.887 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -92.41 114.85 4.69 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 54.22 112.478 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.746 HD11 ' HG2' ' A' ' 139' ' ' LYS . 3.7 mp -131.49 138.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 62.12 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -105.48 116.33 31.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.603 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.77 132.68 17.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 65.44 111.097 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -100.78 155.91 17.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.867 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.84 -163.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.891 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.68 -26.01 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.081 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.41 -21.36 59.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.11 110.865 -179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.603 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -99.37 18.18 56.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 52.13 112.528 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 130' ' ' GLY . 7.7 mt -133.57 20.42 3.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 75.41 110.919 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.24 107.38 7.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 62.14 110.884 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -38.04 81.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 60.53 110.93 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -61.76 -37.76 85.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 63.04 110.896 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -67.1 -43.26 82.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.885 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.519 HG23 HG21 ' A' ' 89' ' ' ILE . 47.9 mm -63.45 -47.17 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 65.42 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -62.98 -40.16 96.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 50.53 110.84 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -66.1 -36.64 83.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.879 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.746 ' HG2' HD11 ' A' ' 123' ' ' ILE . 0.3 OUTLIER -67.92 -48.49 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 70.43 110.889 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.78 -37.84 79.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 45.14 111.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -61.31 -35.37 77.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 52.54 110.919 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 35.3 t -88.01 -26.39 22.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.1 110.85 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 56.28 26.41 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 61.34 110.907 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.863 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 31.5 mtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.774 0.321 . . . . 72.23 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 51.82 84.16 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 54.31 111.087 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.7 mmt -95.64 156.84 16.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 t -165.24 93.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 75.41 110.851 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.65 -30.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 44.13 112.48 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.599 HG21 ' CB ' ' A' ' 109' ' ' SER . 4.4 p -50.61 118.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.808 0.337 . . . . 64.25 111.113 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.95 137.55 36.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.84 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.58 HG11 ' CD2' ' A' ' 116' ' ' LEU . 7.2 p -76.99 128.43 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 73.14 111.148 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 160.74 27.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 31.13 111.091 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.25 -42.94 96.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 53.12 110.916 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -57.32 -34.43 68.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 74.21 110.89 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -71.67 -40.34 69.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.892 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.644 HG22 HD11 ' A' ' 116' ' ' LEU . 61.5 t -63.48 -50.08 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 71.11 111.151 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.91 -44.36 85.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.145 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.15 85.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.02 111.079 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 71.6 mt -69.29 -41.05 77.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -57.91 -46.42 84.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.53 110.875 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -72.11 -36.87 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.859 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.958 HD23 HD11 ' A' ' 88' ' ' LEU . 6.9 tp -60.12 -36.24 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.892 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.79 ' HA ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.8 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.41 110.887 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -98.82 20.74 12.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.892 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 tttt 62.33 46.67 5.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -48.18 24.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.849 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.51 -79.32 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 62.35 110.844 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.614 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER 177.2 -74.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.889 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -144.38 136.8 26.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.904 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.539 HG12 HD22 ' A' ' 27' ' ' LEU . 7.1 p -128.02 126.01 65.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.09 -0.504 . . . . 51.2 111.138 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.677 HD13 HD11 ' A' ' 64' ' ' ILE . 12.0 mt -102.98 129.86 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.126 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -125.87 151.15 47.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 71.34 110.835 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -131.96 164.03 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 62.41 110.841 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.632 HD12 ' CG ' ' A' ' 69' ' ' PRO . 18.6 mt -85.85 126.25 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.116 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.7 HG21 ' HB3' ' A' ' 46' ' ' ALA . 89.2 t -110.59 127.86 67.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 74.23 111.158 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.3 t0 63.05 15.66 8.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.1 110.857 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.654 ' CG ' HD11 ' A' ' 105' ' ' LEU . 36.1 mt-30 48.62 33.12 3.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.9 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -146.3 -40.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 71.55 110.86 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -123.25 127.42 48.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 52.02 110.833 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.508 HD11 HG23 ' A' ' 14' ' ' VAL . 22.4 mm -81.18 131.55 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.25 111.105 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -130.91 165.33 23.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 61.52 111.105 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.1 p -80.34 138.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 73.45 111.12 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.7 -49.24 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.913 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.1 m -161.64 112.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.53 111.15 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -95.6 147.8 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 65.04 111.129 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.38 -64.67 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.724 -0.751 . . . . 72.33 112.476 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 39.25 45.84 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 74.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 63.83 54.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.845 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.81 -38.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.47 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.76 115.79 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.32 . . . . 42.51 111.079 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.88 178.25 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.58 -42.6 82.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.896 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.04 -41.55 86.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 63.15 110.858 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -74.47 -31.0 62.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 75.52 110.92 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.01 -45.87 69.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 72.32 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.59 -44.13 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 53.1 111.158 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -61.63 -40.56 95.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.01 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.11 -51.1 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 63.1 111.073 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.677 HD11 HD13 ' A' ' 36' ' ' ILE . 40.1 mm -72.51 124.82 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 64.43 111.145 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 165.99 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.81 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 98.2 8.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 70.53 110.883 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.88 -61.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.48 154.3 48.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 73.4 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.632 ' CG ' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.76 112.36 3.06 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.688 2.258 . . . . 75.51 112.345 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.0 t -132.9 139.51 47.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 71.12 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.604 ' HD2' HD11 ' A' ' 90' ' ' LEU . 55.7 p90 -128.85 131.67 47.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 63.41 110.945 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 93' ' ' TRP . . . -113.63 127.2 55.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 60.12 111.15 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -106.95 110.87 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.02 111.055 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.61 ' HE1' HD11 ' A' ' 91' ' ' ILE . 5.3 p90 -116.26 136.98 52.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 74.4 110.848 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.66 129.35 41.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.861 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -116.22 165.3 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 70.34 110.881 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -120.29 135.42 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 63.22 110.912 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -153.22 169.99 21.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.872 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -105.82 60.88 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 73.11 111.145 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -77.37 -49.76 14.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.163 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -77.79 -35.51 51.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 71.55 110.91 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -33.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 75.43 110.878 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -177.58 -78.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.715 -0.755 . . . . 75.51 112.487 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 73.83 1.31 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.721 2.281 . . . . 65.5 112.385 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.71 149.4 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 61.54 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -134.05 140.58 46.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 64.21 110.867 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 123.02 17.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 73.25 110.915 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.958 HD11 HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -90.76 131.77 36.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.276 -0.42 . . . . 54.54 110.906 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.66 HD13 ' C ' ' A' ' 88' ' ' LEU . 1.6 mm -119.9 148.73 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 62.41 111.096 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' A' ' 73' ' ' ALA . 6.1 tp -118.39 119.92 36.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 61.15 110.903 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.61 HD11 ' HE1' ' A' ' 74' ' ' PHE . 4.0 mp -117.37 127.37 74.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 70.03 111.118 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.72 136.63 46.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.03 110.827 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.462 ' NE1' HD12 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -123.85 117.25 24.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 65.22 110.887 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.64 151.38 0.54 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.614 0.721 . . . . 62.23 110.914 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 131.83 22.01 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.711 2.274 . . . . 72.44 112.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.92 -36.63 84.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.901 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.66 13.79 29.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 60.21 110.846 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.88 -89.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 73.41 112.499 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.588 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -128.54 160.24 63.66 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.713 . . . . 73.33 111.088 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.562 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.79 -48.1 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 75.05 112.34 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 -68.23 -38.84 82.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.4 110.854 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.588 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 26.5 p -62.8 -45.83 90.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.129 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -48.34 65.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 73.24 110.857 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.31 -30.6 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 62.44 110.844 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.654 HD11 ' CG ' ' A' ' 42' ' ' GLN . 9.8 mt -66.97 -31.06 71.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 65.32 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.58 -48.82 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.897 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.3 t -65.24 -52.81 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 62.15 110.829 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.9 t -56.52 -40.34 74.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.2 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.599 ' CB ' HG21 ' A' ' 14' ' ' VAL . 23.4 p -75.28 -26.26 58.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 64.34 110.836 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -63.07 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.887 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.83 -37.16 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.14 110.812 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.54 -29.04 41.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 74.43 111.088 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.99 -23.36 33.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 64.04 110.934 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 110' ' ' ARG . 2.2 t -51.47 -55.62 27.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.724 . . . . 74.22 111.121 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 54.1 Cg_endo -69.69 -33.08 17.56 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.725 2.283 . . . . 73.04 112.349 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.644 HD11 HG22 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -66.47 -42.35 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 53.32 110.912 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.5 p -112.49 65.17 0.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 64.41 111.113 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -76.49 122.52 24.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 70.13 110.936 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.33 -41.73 2.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 71.52 112.507 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.13 151.89 43.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 74.4 110.846 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.53 127.7 46.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 62.33 110.898 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -110.78 127.07 8.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.745 . . . . 64.25 112.485 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.71 138.63 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 71.23 111.14 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -113.73 116.9 30.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 63.22 110.913 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 130' ' ' GLY . . . -147.52 138.94 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 53.42 111.123 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -97.69 153.91 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.03 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 64.32 -161.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 55.52 110.899 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.45 -25.87 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 75.22 111.126 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -23.63 62.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.43 110.84 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.483 ' CA ' ' HB3' ' A' ' 125' ' ' ALA . . . -116.14 29.2 7.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.759 . . . . 61.32 112.487 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 130' ' ' GLY . 19.2 mt -147.48 18.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 73.11 110.918 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.47 96.06 3.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -52.18 -39.79 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 62.23 110.844 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -67.61 -31.79 72.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.45 110.898 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -70.58 -47.48 59.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.901 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.32 -37.58 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 63.32 111.137 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.7 p -67.08 -43.06 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -34.3 73.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.31 110.88 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -67.26 -48.93 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 72.53 110.906 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.574 ' CG2' HD11 ' A' ' 89' ' ' ILE . 11.7 p -68.17 -37.28 77.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.137 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -61.0 -34.83 75.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.905 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 8.6 t -86.65 -35.41 19.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 64.13 110.839 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 54.25 61.94 2.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 65.12 110.847 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 53.22 110.868 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.767 0.318 . . . . 74.22 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.83 -75.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 43.44 111.064 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.9 mtt -102.64 105.1 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 65.14 110.918 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -74.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.859 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.91 32.22 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 32.54 112.433 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 39' ' ' ILE . 10.0 p -51.35 136.17 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 74.04 111.119 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.81 140.76 21.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 64.42 110.848 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.754 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -74.16 126.0 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 72.32 111.109 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.21 154.73 27.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.23 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.94 -34.09 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 74.52 110.885 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -57.4 -41.77 80.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 70.5 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.3 m -65.19 -44.39 88.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 73.35 110.888 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.515 HG22 ' CD1' ' A' ' 116' ' ' LEU . 22.2 t -58.64 -52.32 61.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 64.42 111.121 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.3 m -60.01 -45.17 93.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 62.43 111.157 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.08 -38.59 76.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 74.31 111.113 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mt -68.55 -48.4 64.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.889 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -58.53 -35.85 72.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.14 110.903 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.11 -48.33 44.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.874 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.709 HD11 ' CA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -55.58 -45.47 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.937 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.766 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.3 ptm180 -66.53 -24.43 66.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 53.3 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.52 17.79 9.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.901 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.8 mttt 62.12 46.74 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.23 110.928 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -74.45 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.1 110.908 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.42 -77.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 71.31 110.842 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.87 -65.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.22 110.915 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CA ' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -144.9 153.45 41.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.912 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.626 HG12 HD13 ' A' ' 27' ' ' LEU . 7.1 p -145.17 124.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 25.12 111.124 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.1 mt -109.28 135.84 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 73.44 111.079 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.611 ' HG2' HG12 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -136.25 156.07 49.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.889 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -132.71 167.96 19.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 72.14 110.875 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.633 HD12 ' HG2' ' A' ' 69' ' ' PRO . 23.4 mt -85.7 121.0 36.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.53 111.161 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 46' ' ' ALA . 45.8 t -103.23 130.7 53.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.131 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.13 16.11 8.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.84 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 48.47 31.44 2.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.869 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -142.13 -41.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.8 t -126.05 126.71 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 71.4 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 60.9 mt -81.98 131.23 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.01 111.179 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.62 159.12 40.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 72.25 111.125 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG12 ' HG2' ' A' ' 37' ' ' MET . 27.2 m -74.78 138.5 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.097 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -108.64 -41.18 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.894 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 99.8 m -161.19 101.94 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 73.22 111.183 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 tt -96.62 147.83 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 73.2 111.139 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.78 -172.52 24.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.727 . . . . 64.2 112.481 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 179.92 58.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 72.44 110.861 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 58.13 27.32 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 75.35 110.88 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -145.06 -39.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 65.12 112.531 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 115.95 2.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.342 . . . . 61.52 111.079 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -73.12 161.12 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 63.15 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -69.39 -35.81 76.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.87 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -56.7 -46.76 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.832 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -67.86 -37.14 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 63.33 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -59.2 -51.56 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 74.03 110.912 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.86 -36.1 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.42 111.117 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.13 -40.61 90.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 70.13 110.905 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.12 -51.03 13.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 72.14 111.11 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 ' H ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -63.35 141.37 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 55.02 111.124 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' H ' HD13 ' A' ' 64' ' ' ILE . 12.5 m-20 -116.49 -172.11 2.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.862 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.4 tttm -128.44 86.09 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 62.11 110.891 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -173.86 -55.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.898 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.6 m -88.46 154.44 51.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.598 0.713 . . . . 63.24 111.155 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.9 Cg_endo -69.81 115.27 4.02 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.694 2.263 . . . . 71.45 112.319 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 t -124.73 148.38 48.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 71.2 110.886 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -126.13 129.96 50.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.901 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.607 ' HB1' ' CE1' ' A' ' 74' ' ' PHE . . . -116.26 126.23 53.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 73.11 111.098 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -106.78 113.8 27.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.653 ' CE2' HD13 ' A' ' 91' ' ' ILE . 6.1 m-85 -111.25 126.75 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.14 110.926 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -91.96 118.8 31.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 52.33 110.897 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -121.87 105.65 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 54.12 110.85 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.49 119.81 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 73.13 110.91 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -153.73 176.0 12.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 73.32 110.914 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -91.58 44.9 1.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.12 111.127 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.4 HG23 ' ND2' ' A' ' 81' ' ' ASN . 8.9 t -78.18 -39.11 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 74.55 111.163 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.4 ' ND2' HG23 ' A' ' 80' ' ' THR . 23.9 m-80 -78.58 -37.58 42.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 71.55 110.914 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 171.17 -55.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.44 110.885 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -125.18 -159.8 10.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 53.35 112.528 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 83.98 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 73.2 112.379 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.05 176.46 5.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 64.21 110.863 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -140.57 134.58 30.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 55.42 110.881 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -132.35 121.75 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.872 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -94.3 130.46 40.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 74.4 110.875 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.86 148.91 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 72.31 111.112 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 tp -122.37 119.62 31.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 61.32 110.897 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.653 HD13 ' CE2' ' A' ' 74' ' ' PHE . 4.0 mp -117.22 127.11 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.01 111.112 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.41 121.76 42.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.04 110.829 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.601 ' CH2' HD23 ' A' ' 131' ' ' LEU . 8.7 m95 -103.31 113.29 26.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 65.13 110.88 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.5 t30 176.71 141.5 0.23 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.729 . . . . 72.13 110.882 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 132.41 23.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 75.43 112.331 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -61.91 -21.23 64.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 52.22 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.83 14.24 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.841 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.69 -96.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 64.05 112.503 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -125.38 159.86 58.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 35.43 111.048 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.6 Cg_endo -69.71 -46.72 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 70.11 112.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.587 ' O ' HD13 ' A' ' 105' ' ' LEU . 4.1 ptp180 -67.96 -32.61 73.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 64.13 110.88 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.0 p -72.2 -46.48 56.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 74.33 111.132 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 -35.11 76.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 51.22 110.89 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.4 tpt -70.58 -45.97 64.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 63.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 101' ' ' ARG . 4.4 mp -55.15 -30.03 58.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 72.22 110.956 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -60.51 -35.54 76.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.897 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -53.03 6.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 71.24 110.84 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.7 t -52.35 -42.1 63.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 75.34 110.816 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB2' HG11 ' A' ' 14' ' ' VAL . 1.5 t -79.29 -24.84 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 71.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -39.39 78.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 53.53 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.1 -43.32 95.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.878 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.01 -22.86 44.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 62.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.675 HD23 HD23 ' A' ' 116' ' ' LEU . 5.4 mt -83.71 -21.27 32.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.264 -0.426 . . . . 73.33 110.873 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.573 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -56.7 -55.39 43.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 73.25 111.116 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.72 -35.7 12.29 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.681 2.254 . . . . 61.41 112.343 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.754 HD22 HG21 ' A' ' 16' ' ' VAL . 26.3 tp -66.37 -46.01 78.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 65.22 110.902 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 48.5 p -100.85 62.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 74.24 111.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -81.72 122.65 27.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 63.54 110.884 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 96.2 -24.66 29.19 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 72.41 112.507 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -81.68 137.39 35.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.755 0.312 . . . . 75.42 110.922 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -78.16 103.79 8.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 63.31 110.898 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -96.69 101.66 2.65 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.669 -0.776 . . . . 72.33 112.456 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.56 HD13 ' HG3' ' A' ' 139' ' ' LYS . 3.6 pt -124.64 138.62 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 71.52 111.138 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.18 122.65 46.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 64.32 110.905 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.578 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -148.23 127.39 12.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.76 159.8 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.875 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 t0 63.71 -164.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.867 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.53 -25.84 11.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 74.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m -58.93 -21.91 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.899 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.578 ' HA2' ' HB3' ' A' ' 125' ' ' ALA . . . -86.77 -18.23 58.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 54.43 112.472 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.601 HD23 ' CH2' ' A' ' 93' ' ' TRP . 7.2 mt -98.25 18.41 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 55.53 110.953 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -71.29 95.89 1.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.865 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -54.31 -42.79 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.893 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -58.57 -34.2 70.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.875 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.18 -40.04 82.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 73.32 110.93 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 73.6 mt -67.33 -47.19 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.111 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 m -64.07 -38.23 90.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.69 -35.94 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.849 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.56 ' HG3' HD13 ' A' ' 123' ' ' ILE . 0.0 OUTLIER -67.87 -48.15 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.889 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.76 -37.99 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 71.11 111.131 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -67.09 -35.71 80.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.03 110.915 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 m -69.0 -34.36 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 64.01 110.846 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 51.83 30.24 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.913 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.5 mtp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.77 0.319 . . . . 63.21 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.84 -73.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.068 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -73.51 133.72 43.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.25 110.893 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.19 -43.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 73.54 110.911 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.53 -32.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 75.5 112.479 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.785 HG21 ' HB2' ' A' ' 109' ' ' SER . 5.5 p -50.94 121.44 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.852 0.358 . . . . 71.42 111.132 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.08 138.65 30.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.875 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.635 HG21 ' HG ' ' A' ' 116' ' ' LEU . 9.9 p -73.4 129.68 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.43 111.113 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.7 157.53 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 63.11 111.072 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.97 -36.89 70.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.868 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -57.38 -44.18 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.867 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' SG ' HD11 ' A' ' 24' ' ' LEU . 50.4 t -61.94 -45.38 93.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 61.43 110.882 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 116' ' ' LEU . 21.4 t -59.42 -44.03 91.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 71.22 111.137 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.7 m -63.32 -46.88 84.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 70.2 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG11 ' A' ' 35' ' ' VAL . . . -58.02 -43.74 86.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 72.44 111.101 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD13 ' CG2' ' A' ' 117' ' ' THR . 10.1 mt -68.99 -32.47 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 64.11 110.926 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -65.76 -46.3 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 62.21 110.917 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -38.53 72.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 74.01 110.897 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.775 HD13 HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -65.56 -34.61 78.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 70.54 110.936 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.591 HH21 HG22 ' A' ' 117' ' ' THR . 28.2 mtt180 -62.99 -24.54 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.839 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.68 11.16 15.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 65.42 110.858 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.06 33.2 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 65.1 110.91 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -79.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 71.41 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 p -65.85 -94.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 31.04 110.871 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.38 -63.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -143.78 144.12 31.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 53.22 110.925 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.775 HG23 HD13 ' A' ' 27' ' ' LEU . 26.0 t -130.47 117.04 37.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.24 111.126 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.527 HG23 ' HB2' ' A' ' 72' ' ' ALA . 5.9 mt -102.98 130.22 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 54.31 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.3 156.04 48.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.885 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -135.59 168.61 18.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.582 HD12 ' HG2' ' A' ' 69' ' ' PRO . 22.0 mt -85.67 127.19 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.147 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.718 HG21 ' HB3' ' A' ' 46' ' ' ALA . 63.9 t -108.55 128.08 64.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 62.55 111.152 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.0 16.49 8.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.34 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 48.76 31.23 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 64.1 110.932 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -141.66 -41.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.936 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.36 126.87 45.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 42.25 110.837 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.712 HG21 ' OH ' ' A' ' 71' ' ' TYR . 68.2 mt -80.44 131.63 33.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 73.42 111.177 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' HG21 ' A' ' 40' ' ' VAL . . . -132.29 154.34 49.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 63.52 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -79.29 138.2 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.53 111.11 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -102.38 -42.44 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 72.15 110.943 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.562 ' OG1' ' HB2' ' A' ' 63' ' ' ALA . 3.1 m -162.78 108.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 65.13 111.163 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.568 HG13 HG22 ' A' ' 35' ' ' VAL . 11.2 tt -100.43 133.36 43.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 54.11 111.135 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.57 -151.88 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 72.02 112.478 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -179.63 -48.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 74.4 110.931 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -148.09 -41.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -161.6 86.95 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.462 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.691 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -71.58 135.5 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.808 0.337 . . . . 74.35 111.118 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.47 150.65 44.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 75.23 110.896 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -60.61 -36.35 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.03 110.871 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.39 -46.99 82.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.1 110.852 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -72.47 -35.4 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.11 110.856 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' ALA . 1.6 m-85 -57.83 -51.59 68.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.11 110.85 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.72 -32.6 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 72.44 111.098 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 51.41 110.857 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.562 ' HB2' ' OG1' ' A' ' 49' ' ' THR . . . -85.01 -49.72 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 65.02 111.112 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.402 HD11 HD13 ' A' ' 36' ' ' ILE . 54.0 mt -73.26 124.32 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 63.21 111.147 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.72 172.11 11.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 51.44 110.849 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -111.85 86.58 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' ND2' HG13 ' A' ' 68' ' ' VAL . 5.7 t30 -179.23 -67.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 62.14 110.862 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG13 ' ND2' ' A' ' 67' ' ' ASN . 16.9 m -82.62 154.44 68.42 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 71.42 111.11 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.582 ' HG2' HD12 ' A' ' 39' ' ' ILE . 53.8 Cg_endo -69.8 124.28 10.92 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 53.33 112.368 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.33 139.14 37.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 74.13 110.89 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.712 ' OH ' HG21 ' A' ' 45' ' ' ILE . 21.0 p90 -130.14 140.81 50.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 65.21 110.956 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 36' ' ' ILE . . . -124.87 136.42 53.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.136 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.59 120.03 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 70.03 111.093 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -111.46 130.91 55.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 73.25 110.854 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 121.34 43.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.874 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -120.95 115.43 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 62.55 110.877 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.05 130.08 35.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.886 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -153.18 162.09 41.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 65.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.8 t -86.69 62.8 7.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 75.3 111.162 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 67.7 p -77.83 -49.99 13.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -78.0 -36.46 48.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 61.23 110.901 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.8 t70 178.71 -33.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 73.54 110.908 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 179.61 -80.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 71.51 112.46 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 68.79 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.691 2.261 . . . . 43.41 112.347 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.01 149.3 43.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 74.44 110.868 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -145.19 142.71 29.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 62.24 110.847 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 139.76 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 52.01 110.896 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.636 HD21 HD23 ' A' ' 27' ' ' LEU . 3.8 mp -108.59 134.94 50.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.43 110.895 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -123.36 149.9 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.03 111.125 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 71' ' ' TYR . 6.2 tp -119.0 119.44 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 55.31 110.966 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.53 127.35 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.122 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.0 138.54 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 62.1 110.833 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.3 t-105 -117.54 113.92 22.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 72.42 110.915 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 176.08 144.26 0.24 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.664 0.745 . . . . 74.54 110.862 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' ' HA3' ' A' ' 98' ' ' GLY . 53.7 Cg_endo -69.74 132.05 22.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 65.03 112.342 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -63.89 -21.47 66.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 75.21 110.919 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.19 14.48 24.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.889 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' A' ' 95' ' ' PRO . . . -61.32 -103.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.7 -0.762 . . . . 64.21 112.514 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -119.73 160.34 42.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 62.34 111.125 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.5 Cg_endo -69.77 -39.48 6.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.671 2.248 . . . . 44.15 112.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -67.77 -37.07 81.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 74.03 110.831 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.582 HG23 ' N ' ' A' ' 69' ' ' PRO . 99.0 m -67.54 -45.74 74.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 63.53 111.099 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -41.0 80.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 72.14 110.919 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.1 mtt -69.2 -47.55 64.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.866 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 mt -55.08 -31.9 61.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.909 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -59.13 -33.97 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.925 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.8 t -91.95 -40.09 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 50.55 110.863 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -42.54 99.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 54.11 110.837 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.785 ' HB2' HG21 ' A' ' 14' ' ' VAL . 27.4 t -79.98 -25.7 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 61.22 110.846 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -56.04 -39.28 71.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 72.33 110.921 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.33 -40.85 95.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 54.13 110.844 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.2 -24.25 43.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 70.35 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.68 -22.78 31.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 52.5 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -54.29 -55.34 38.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 42.41 111.141 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.74 -34.96 13.6 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 65.31 112.372 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -66.45 -39.43 88.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.944 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.628 ' CG2' HD13 ' A' ' 24' ' ' LEU . 47.4 p -130.37 63.03 1.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 62.44 111.155 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -85.38 135.41 33.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 113.9 2.28 23.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 74.31 112.517 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -123.19 158.11 31.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 74.33 110.887 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -100.35 121.57 41.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.917 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -104.57 120.43 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 63.02 112.511 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.451 HD13 ' HD3' ' A' ' 139' ' ' LYS . 3.5 mp -131.49 120.34 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 73.21 111.158 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.577 ' H ' ' NE2' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -84.79 136.63 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.906 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.501 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.84 128.07 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 73.1 111.079 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -97.59 161.86 13.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.12 110.923 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.04 -163.83 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 62.1 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.79 -26.21 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 33.34 111.067 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -20.34 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 63.32 110.856 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.684 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -86.68 9.09 72.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 71.12 112.5 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 130' ' ' GLY . 31.8 mt -137.54 18.44 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.768 0.318 . . . . 64.31 110.871 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -79.08 96.09 5.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.883 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -54.24 -40.14 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.52 -32.94 67.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.922 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -40.63 80.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.14 110.872 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.407 ' O ' HG12 ' A' ' 140' ' ' VAL . 67.2 mt -67.56 -47.16 81.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 64.32 111.135 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -37.94 89.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.876 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -69.42 -38.1 77.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 74.05 110.845 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HD3' HD13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -66.25 -48.55 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.895 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 136' ' ' ILE . 7.6 p -67.97 -37.85 79.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.107 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -35.2 80.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 65.12 110.914 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 56.9 m -80.22 -33.26 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 42.13 110.846 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 52.15 30.49 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.889 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.791 0.329 . . . . 73.4 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.04 -175.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.113 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtm 62.5 165.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 63.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -174.47 -57.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 74.32 110.849 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -176.6 -33.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 71.43 112.505 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 5.2 p -51.11 120.75 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 75.23 111.115 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.99 139.52 41.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.841 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.051 HG21 HD22 ' A' ' 116' ' ' LEU . 7.2 p -73.23 126.09 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.23 111.097 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.529 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . . . -84.26 160.75 20.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 71.32 111.131 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -28.45 62.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 72.12 110.833 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.529 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 9.9 pt-20 -57.38 -44.84 84.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 74.22 110.901 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.0 t -64.23 -42.96 96.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 64.43 110.889 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 116' ' ' LEU . 21.8 t -58.59 -48.37 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.129 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 49.3 m -64.23 -42.27 96.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.11 111.085 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 55.14 111.107 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.6 mt -67.72 -39.92 84.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 55.24 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.09 -45.9 86.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.841 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -71.53 -38.05 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 75.32 110.878 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD11 ' C ' ' A' ' 33' ' ' ARG . 12.8 tp -57.41 -44.4 84.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.2 110.911 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -63.71 -24.08 67.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.837 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.22 19.05 8.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 54.42 110.887 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.1 46.62 6.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 73.13 110.892 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.64 -43.57 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.907 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.92 -76.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.543 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER 179.86 -62.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 61.51 110.872 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' OH ' ' HB3' ' A' ' 55' ' ' ALA . 28.6 p90 -145.33 155.38 43.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 72.33 110.909 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.604 HG22 HG13 ' A' ' 50' ' ' ILE . 21.6 t -136.73 127.53 41.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 44.24 111.108 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.721 HD11 ' CE2' ' A' ' 60' ' ' PHE . 44.3 mt -105.51 122.87 59.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.089 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -110.27 147.07 34.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.32 110.883 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.493 ' CE1' HG21 ' A' ' 68' ' ' VAL . 25.9 t60 -128.37 148.28 50.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 61.12 110.806 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.687 HD12 ' HG2' ' A' ' 69' ' ' PRO . 20.6 mt -85.21 119.89 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 74.12 111.168 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -100.78 132.84 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 53.21 111.136 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.29 24.5 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 51.13 110.83 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.642 ' HB2' HD21 ' A' ' 105' ' ' LEU . 9.6 pt20 39.43 40.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.968 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -149.23 -40.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.3 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.51 126.8 50.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 53.43 110.833 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 16' ' ' VAL . 66.0 mt -84.21 131.09 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 61.32 111.127 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -139.53 154.2 47.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.3 111.105 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.21 136.41 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 72.22 111.113 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.38 -47.19 3.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.947 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.498 ' OG1' ' HB1' ' A' ' 63' ' ' ALA . 96.0 m -161.37 109.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 75.24 111.13 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.604 HG13 HG22 ' A' ' 35' ' ' VAL . 19.4 tt -96.7 147.63 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 64.41 111.147 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -99.88 -178.79 30.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.791 -0.718 . . . . 51.24 112.467 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.93 122.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 62.23 110.933 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.96 33.62 17.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 72.15 110.899 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.96 74.34 0.8 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.725 -0.75 . . . . 50.22 112.472 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.568 ' HB3' ' OH ' ' A' ' 34' ' ' TYR . . . -50.13 163.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 75.14 111.058 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -71.26 150.73 44.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 63.43 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -41.76 93.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 73.14 110.868 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -65.72 -36.97 85.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 71.11 110.818 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.19 -46.47 50.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 55.22 110.915 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.721 ' CE2' HD11 ' A' ' 36' ' ' ILE . 28.8 t80 -59.35 -48.46 81.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.87 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 ' HA ' HG22 ' A' ' 64' ' ' ILE . 39.0 mm -67.33 -41.88 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 72.1 111.13 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.94 -38.7 79.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.04 110.871 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.498 ' HB1' ' OG1' ' A' ' 49' ' ' THR . . . -72.94 -55.47 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.33 111.106 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 61' ' ' ILE . 11.9 tt -66.87 142.18 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.129 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.13 169.41 11.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 62.4 110.852 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -115.85 82.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 75.31 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.41 -59.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 38' ' ' HIS . 12.7 m -80.02 153.12 74.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 62.45 111.098 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.687 ' HG2' HD12 ' A' ' 39' ' ' ILE . 54.0 Cg_endo -69.73 100.72 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 75.12 112.356 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.6 p -113.23 140.79 47.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -114.93 129.61 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.4 110.905 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.28 116.92 29.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 62.4 111.154 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.489 ' O ' HD21 ' A' ' 27' ' ' LEU . . . -105.48 110.41 22.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 74.22 111.109 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -111.39 130.35 55.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.883 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -95.7 122.23 38.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.45 110.864 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -119.17 111.31 18.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 73.33 110.888 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.88 120.24 35.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 70.14 110.865 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -153.4 144.01 22.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 73.54 110.891 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.761 HG23 ' C ' ' A' ' 83' ' ' GLY . 7.8 m -87.82 49.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 73.01 111.136 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 p -80.39 -42.79 22.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 73.15 111.178 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.78 -40.79 97.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.906 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t0 168.22 -46.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.9 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.761 ' C ' HG23 ' A' ' 79' ' ' THR . . . -121.93 177.4 16.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 65.04 112.49 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 89.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.688 2.258 . . . . 74.32 112.379 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.08 152.98 26.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 73.3 110.864 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -134.69 134.56 41.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.918 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.591 ' HG2' HG23 ' A' ' 140' ' ' VAL . 2.1 ttmt -137.33 129.15 28.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 64.44 110.876 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.455 ' CD2' ' HB1' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -99.84 132.03 45.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 70.14 110.939 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.96 148.51 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 72.14 111.12 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tt -118.36 118.9 33.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 44.12 110.95 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.24 130.52 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.092 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.6 t -101.35 128.21 47.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 54.21 110.861 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.648 ' CZ2' HD11 ' A' ' 131' ' ' LEU . 2.0 t90 -113.92 114.2 25.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.908 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 177.05 153.35 0.41 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 74.24 110.935 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 131.74 21.91 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.67 2.246 . . . . 62.45 112.344 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -64.08 -40.6 96.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.888 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.14 13.9 23.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 65.51 110.82 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.73 -90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.753 -0.737 . . . . 54.14 112.482 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB3' ' OG1' ' A' ' 102' ' ' THR . . . -129.01 159.95 66.09 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 72.0 111.071 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.551 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.8 Cg_endo -69.73 -47.02 1.03 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.71 2.274 . . . . 72.22 112.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -67.91 -39.43 83.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 72.14 110.869 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.562 ' OG1' ' HB3' ' A' ' 99' ' ' ALA . 31.9 p -66.11 -38.88 89.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 53.14 111.118 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.6 tptt -68.1 -48.25 66.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 62.14 110.9 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.24 67.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.882 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.642 HD21 ' HB2' ' A' ' 42' ' ' GLN . 6.7 mt -54.98 -29.87 57.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 71.34 110.944 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -66.82 -47.51 71.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 71.02 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.53 -45.14 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.01 110.849 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.7 m -56.19 -25.28 46.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 71.3 110.883 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -22.55 14.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 73.04 110.852 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -56.21 -39.35 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.02 110.87 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -43.65 92.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 64.23 110.846 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.14 -22.9 44.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 64.43 111.098 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.691 HD23 HD23 ' A' ' 116' ' ' LEU . 7.6 mt -83.57 -19.47 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 62.24 110.916 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.582 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 2.2 t -58.9 -55.43 46.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 74.23 111.107 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 -35.48 12.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 44.35 112.36 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.051 HD22 HG21 ' A' ' 16' ' ' VAL . 20.9 tp -67.84 -47.72 68.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 53.53 110.906 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 28.8 p -101.78 50.64 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.123 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.46 122.59 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.914 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 106.47 -42.96 1.78 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 71.13 112.476 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.56 158.12 36.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 74.45 110.899 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -104.23 140.35 37.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.921 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -115.01 112.01 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.702 -0.761 . . . . 52.22 112.432 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.477 HG21 ' CE ' ' A' ' 139' ' ' LYS . 7.0 pt -114.92 134.08 59.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 65.43 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.99 121.72 45.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.924 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.503 ' HB3' ' HA2' ' A' ' 130' ' ' GLY . . . -147.29 133.38 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.25 111.129 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -97.7 155.83 16.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 61.13 110.924 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.06 -163.07 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.869 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.66 -26.1 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 71.15 111.061 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -23.02 62.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 70.52 110.892 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.505 ' O ' HD23 ' A' ' 131' ' ' LEU . . . -109.78 25.4 17.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 32.22 112.469 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.648 HD11 ' CZ2' ' A' ' 93' ' ' TRP . 21.8 mt -144.08 23.95 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 74.41 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.03 105.84 18.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 73.15 110.885 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -52.1 -45.53 64.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.23 110.892 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -57.69 -32.14 67.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 71.41 110.879 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -41.04 82.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.901 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 68.3 mt -68.52 -47.14 78.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 53.4 111.126 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.9 t -62.03 -40.56 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 71.03 110.83 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -36.84 76.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 74.02 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.477 ' CE ' HG21 ' A' ' 123' ' ' ILE . 4.9 tppt? -64.42 -48.67 74.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 72.23 110.887 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.591 HG23 ' HG2' ' A' ' 87' ' ' LYS . 7.1 p -68.03 -37.81 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 73.44 111.136 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -65.0 -34.19 77.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.874 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 3.6 t -83.86 -30.9 26.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.865 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 40.98 40.66 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.848 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.01 110.879 -180.0 . . . . . . . . 1 1 . 1 stop_ save_