data_2mk9_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 2mk9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -50.86 -35.76 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -84.23 -27.39 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -29.03 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.98 -57.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -52.47 -55.08 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.6 m -52.66 -31.1 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -63.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.04 -28.05 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -57.54 3.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.6 mt -60.24 -64.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.145 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -63.05 -24.29 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.01 -53.01 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -69.34 -52.87 23.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.2 -50.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.42 -43.02 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 mt -54.22 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.09 -59.87 4.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -50.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -47.93 -34.5 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -97.25 -19.79 18.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.83 -3.38 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.45 46.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -29.48 65.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.59 -57.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -52.2 -54.82 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.6 m -53.18 -31.13 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -63.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 48.9 mt -51.09 -28.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -57.39 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.54 -36.6 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.37 -64.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.87 -24.34 67.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.7 mt -72.05 -53.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -68.9 -53.05 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -50.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.56 -42.63 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.58 -38.85 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.58 -59.08 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -50.35 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -48.12 -33.68 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.64 -21.29 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.19 -2.79 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.82 45.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.06 -49.84 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.98 -39.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -39.61 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.12 -54.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.44 -49.25 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -51.63 -34.16 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mp -50.54 -28.13 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.42 -59.03 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -51.8 -35.99 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.6 mt -61.43 -65.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -62.2 -24.15 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 mt -72.09 -53.48 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -69.52 -52.02 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -49.2 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.44 -38.71 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 mt -59.2 -33.85 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.01 -45.72 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -68.27 -52.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -48.64 -32.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.13 -25.2 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 14.8 mt-10 -73.46 1.38 9.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.37 49.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 30.1 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.14 74.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.26 -54.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.13 -49.91 50.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -50.88 -33.54 24.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 3.7 mp -51.37 -27.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.72 -58.87 2.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.58 -36.06 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.91 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.6 -24.24 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt -72.32 -53.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.94 -51.81 35.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.24 -48.37 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.66 -39.26 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.99 -33.26 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.98 -44.74 82.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.453 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.9 OUTLIER -68.92 -51.95 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -49.1 -32.4 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.08 -25.19 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.453 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.8 mt-10 -73.41 1.0 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.9 50.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.313 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.64 -38.26 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.53 -38.8 74.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.03 -50.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.1 -57.8 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -56.41 -24.96 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -67.86 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.59 -24.29 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.71 -58.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -51.18 -35.61 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.83 -64.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.26 -24.09 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.88 -52.26 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -70.64 -52.13 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -47.84 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.77 -44.33 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.12 -36.08 60.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 30' ' ' GLU . 3.1 mm? -54.69 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -50.44 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -46.9 -36.89 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -96.64 -18.94 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.1 tm-20 -72.05 -1.43 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.7 48.59 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.1 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.15 -38.72 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -77.06 -50.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.02 -58.01 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 13.5 t -55.56 -26.65 44.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -67.34 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.63 -24.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.8 -57.32 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.89 -35.81 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 19.1 mt -61.79 -64.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.2 -24.43 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.69 -52.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -69.94 -52.1 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.97 -48.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.48 -43.85 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.42 -36.7 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 130' ' ' GLU . 3.2 mm? -53.97 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.44 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -46.99 -36.62 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -96.32 -19.5 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 126' ' ' LEU . 1.2 tm-20 -72.47 -1.04 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 123.9 48.74 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.01 -44.5 60.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.28 -26.7 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.5 mtm -69.47 -32.59 71.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.41 -48.11 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -51.64 -56.21 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -55.91 -26.47 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.75 -63.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -51.52 -28.04 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -57.74 3.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.06 -35.04 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -63.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.03 -24.45 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.13 -45.37 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -77.76 -51.78 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -40.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.0 -53.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.49 -45.2 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.86 -50.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -50.31 -32.03 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -97.19 -22.86 16.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 4.4 mm-40 -71.59 -1.37 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.06 52.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtm -70.58 -30.01 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.27 -46.85 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -51.55 -57.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -58.81 -25.9 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -63.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.28 -27.33 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.0 -57.99 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.2 mt -50.46 -35.36 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 22.3 mt -59.63 -63.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.69 -24.33 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.9 -45.88 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -77.57 -50.99 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.78 -40.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.52 -52.87 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.14 -33.75 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.79 -45.71 81.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.8 OUTLIER -69.37 -51.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -49.2 -32.35 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -95.13 -25.07 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -73.62 0.91 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 49.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.877 0.37 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -50.38 -42.43 53.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.79 -26.51 54.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -34.59 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.99 -46.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.75 -58.41 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -59.45 -20.89 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.59 -64.15 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.5 -26.21 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.07 -59.71 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.61 -36.3 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.86 -65.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.92 -24.31 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.32 -46.02 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.07 -25.19 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -31.74 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 t -81.63 -35.58 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.69 -31.88 73.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -69.24 -50.55 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.93 -32.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.79 -21.68 16.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 5.6 mm-40 -70.95 -2.44 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.83 51.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 57.5 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -35.98 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.63 -49.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -52.39 -57.46 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -57.16 -24.06 51.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.73 -63.7 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.04 -25.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.81 -59.36 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.96 -36.72 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.97 -65.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.28 -24.26 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.29 -44.88 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -80.67 -25.19 38.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.28 -32.44 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.82 -34.72 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.55 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.62 -45.19 89.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.559 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.13 -51.11 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -49.44 -32.6 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -97.01 -22.24 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -71.08 -2.36 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.851 0.358 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -49.63 -49.49 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -58.73 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -51.3 -59.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -50.32 -58.01 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -54.96 -31.34 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -69.91 -63.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -49.54 -29.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -59.5 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 mt -50.21 -39.56 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.2 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -26.58 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.15 -53.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.46 -25.16 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mp -74.49 -33.07 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.0 t -79.08 -40.99 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.83 -33.77 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.98 -44.57 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.449 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 1.2 mt -69.8 -52.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -49.53 -31.41 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -95.58 -25.29 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 11.0 mt-10 -73.44 0.81 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.22 49.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.925 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.45 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -50.97 -58.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -51.34 -57.3 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -56.23 -28.59 58.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -63.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 35.9 mt -49.41 -29.41 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.98 -59.09 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.02 -39.33 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 28.8 mt -58.46 -65.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.39 -25.51 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.16 -50.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.8 -25.2 56.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.54 -31.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.2 t -78.99 -39.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.49 -35.09 71.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 mp -55.0 -44.55 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.439 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 1.2 mt -69.52 -52.69 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -49.23 -31.7 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -95.23 -25.62 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 10.7 mt-10 -73.02 0.79 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 50.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -50.2 -43.86 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -75.05 -26.79 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.0 mtt -70.34 -37.33 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.81 -44.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.2 -50.88 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -53.34 -28.37 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -70.86 -63.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -53.12 -27.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -54.05 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -46.25 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.7 -64.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.01 -33.52 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 mt -60.56 -51.17 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -72.7 -50.12 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.46 -36.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.43 -29.88 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.02 -42.48 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.55 -47.05 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -67.45 -50.93 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.12 -32.65 10.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.26 -22.08 16.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.554 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 2.9 mm-40 -71.51 -1.62 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.15 49.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.4 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.3 mtt -69.67 -37.17 76.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.31 -44.21 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.43 -50.01 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.8 t -53.8 -28.95 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -70.62 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.58 -28.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -54.31 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.98 -45.91 61.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 10.8 mt -51.63 -64.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -31.05 70.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.97 -53.01 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -69.65 -48.97 58.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.73 -37.44 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.6 -30.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.63 -41.21 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.78 -47.54 64.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -67.36 -50.9 58.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -49.81 -32.09 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -97.17 -22.15 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.529 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 3.0 mm-40 -73.16 -0.7 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.99 49.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -49.95 -44.12 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtt -69.99 -31.59 69.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.82 -57.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.33 -54.12 29.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -55.92 -25.0 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.57 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.3 mt -53.3 -26.27 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.13 -57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt -51.45 -35.54 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.24 -64.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -62.83 -24.04 67.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.44 -53.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.51 -52.36 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -51.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.97 -40.92 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.01 -38.19 70.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.88 -50.54 66.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -49.69 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 25.2 t60 -48.77 -34.28 11.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.83 -26.39 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.18 11.36 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.74 57.29 0.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 28' ' ' HIS . 23.9 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.704 0.288 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.9 mtt -69.7 -32.4 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -83.35 -54.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -53.56 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -52.08 -31.0 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.85 -63.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.43 -25.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.1 -56.15 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.3 -37.14 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 19.0 mt -60.14 -64.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -62.89 -24.2 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.43 -53.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.41 -52.25 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.27 -50.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.14 -41.42 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.45 -37.58 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.56 -50.06 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -49.3 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -49.1 -34.29 13.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -94.96 -26.27 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -79.84 11.02 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.7 57.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -34.22 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -84.43 -32.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -69.95 -34.19 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.27 -45.75 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -51.49 -60.45 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -56.48 -25.03 49.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.9 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.7 mt -51.94 -27.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.06 -58.26 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.34 -35.68 19.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.4 mt -62.43 -64.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -24.64 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 mt -74.24 -57.78 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.29 -53.14 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -52.65 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.25 -34.29 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.92 -32.98 73.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.41 -44.78 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -68.88 -52.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -49.18 -32.1 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.23 -24.95 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 13.5 mt-10 -73.55 0.76 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.2 49.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.871 0.367 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -63.62 -35.57 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.22 -48.28 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.26 -59.26 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 12.6 t -57.22 -23.54 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 43.1 mt -52.03 -26.52 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.32 -61.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 15.2 mt -49.37 -35.72 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.03 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -25.48 63.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.67 -58.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -62.27 -54.36 41.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -53.19 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 41.4 t -68.4 -32.88 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.72 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . 0.467 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.28 -52.34 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -49.32 -32.1 10.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.06 -25.04 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.5 mt-10 -73.35 0.43 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.33 49.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.884 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.59 -41.83 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -77.61 -25.93 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 mtm -75.02 -24.93 58.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.42 -55.54 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -52.17 -48.87 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -63.51 -21.91 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mp -52.96 -27.01 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -58.99 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.01 -37.98 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.35 -66.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -28.81 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mt -66.81 -51.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -67.17 -35.88 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -71.52 -45.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.24 -36.55 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.83 -57.93 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -49.7 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -49.08 -32.24 9.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.1 -20.33 17.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -5.88 23.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 46.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.91 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 47.3 t80 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.5 mtm -73.12 -23.49 60.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.23 -56.35 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.8 -49.15 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -62.92 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -64.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 3.9 mp -53.4 -26.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.34 -58.88 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.87 -38.18 34.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 25.3 mt -58.72 -65.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -59.96 -26.86 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mt -68.98 -49.43 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.64 -32.55 60.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.43 -37.3 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -70.97 -43.75 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 16.8 mt -53.14 -36.31 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.83 -56.79 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -49.49 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -49.79 -30.69 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.7 -21.31 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -5.68 22.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.35 46.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -110.23 3.76 20.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -128.11 36.9 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -69.66 -60.06 4.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.568 0.699 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.79 -26.25 27.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.23 -44.67 75.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.61 -35.52 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -50.86 -35.76 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -84.23 -27.39 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -29.03 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.98 -57.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -52.47 -55.08 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.6 m -52.66 -31.1 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -63.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.6 mt -51.04 -28.05 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -57.54 3.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.6 mt -60.24 -64.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.145 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -63.05 -24.29 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.01 -53.01 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -69.34 -52.87 23.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.2 -50.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.42 -43.02 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 mt -54.22 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.09 -59.87 4.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -50.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -47.93 -34.5 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -97.25 -19.79 18.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.83 -3.38 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.45 46.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 18.27 11.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.76 36.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 39.6 mtt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.23 3.73 20.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m -128.46 36.75 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.483 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -70.12 -60.05 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 54.1 Cg_endo -69.76 -26.91 27.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -39.63 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.23 -45.21 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.59 -35.55 54.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.02 -35.43 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -84.48 -27.09 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -29.48 65.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.59 -57.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -52.2 -54.82 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.6 m -53.18 -31.13 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -63.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 48.9 mt -51.09 -28.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.68 -57.39 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 mt -51.54 -36.6 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 24.7 mt -60.37 -64.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.87 -24.34 67.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.7 mt -72.05 -53.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -68.9 -53.05 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.1 -50.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.56 -42.63 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 10.2 mt -54.58 -38.85 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.58 -59.08 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -50.35 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -48.12 -33.68 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.64 -21.29 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.19 -2.79 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.82 45.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -128.12 18.39 6.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.43 38.3 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.794 0.33 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -154.66 117.95 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -104.76 35.79 2.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -71.85 -60.72 2.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.77 -41.57 4.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.97 -26.46 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.46 -52.98 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.3 -39.85 46.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.06 -49.84 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.98 -39.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -39.61 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.12 -54.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.44 -49.25 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -51.63 -34.16 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.7 mp -50.54 -28.13 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.42 -59.03 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -51.8 -35.99 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.6 mt -61.43 -65.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -62.2 -24.15 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.7 mt -72.09 -53.48 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -69.52 -52.02 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -49.2 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.44 -38.71 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.5 mt -59.2 -33.85 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.01 -45.72 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -68.27 -52.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -48.64 -32.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.13 -25.2 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 14.8 mt-10 -73.46 1.38 9.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.37 49.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -147.5 86.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 79.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -152.31 116.66 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -103.08 36.1 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.46 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -71.8 -60.86 2.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 111.042 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 53.8 Cg_endo -69.74 -41.35 4.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.272 . . . . 0.0 112.327 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.67 -53.97 33.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -50.67 -39.58 51.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -49.6 -49.44 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.79 -39.59 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.14 74.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.26 -54.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.13 -49.91 50.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -50.88 -33.54 24.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 3.7 mp -51.37 -27.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.72 -58.87 2.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.9 mt -50.58 -36.06 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.91 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.6 -24.24 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt -72.32 -53.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -68.94 -51.81 35.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.24 -48.37 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.66 -39.26 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.99 -33.26 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.98 -44.74 82.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.453 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.9 OUTLIER -68.92 -51.95 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -49.1 -32.4 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.08 -25.19 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.453 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.8 mt-10 -73.41 1.0 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.9 50.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -148.97 87.05 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.313 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.3 76.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -154.49 117.38 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -115.01 37.09 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -70.58 -60.55 3.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 111.055 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.7 -25.41 28.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -76.93 -33.47 57.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.12 -34.11 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.3 mt -62.38 -42.79 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.64 -38.26 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.53 -38.8 74.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.03 -50.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.1 -57.8 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -56.41 -24.96 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -67.86 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -53.59 -24.29 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -82.71 -58.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.8 mt -51.18 -35.61 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.83 -64.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.26 -24.09 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.88 -52.26 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -70.64 -52.13 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.69 -47.84 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.77 -44.33 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -53.12 -36.08 60.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 30' ' ' GLU . 3.1 mm? -54.69 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.6 -50.44 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -46.9 -36.89 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -96.64 -18.94 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.1 tm-20 -72.05 -1.43 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.7 48.59 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.08 18.65 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -105.06 37.86 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -154.27 117.82 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 2.2 m -114.66 37.37 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.474 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -70.49 -60.48 3.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 54.1 Cg_endo -69.8 -25.84 28.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -76.4 -33.63 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.53 -35.21 77.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 13.4 mt -62.77 -42.85 99.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.62 -38.35 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -80.23 -27.51 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.15 -38.72 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -77.06 -50.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.02 -58.01 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 13.5 t -55.56 -26.65 44.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -67.34 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.63 -24.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.8 -57.32 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 mt -51.89 -35.81 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 19.1 mt -61.79 -64.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.2 -24.43 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mt -71.69 -52.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -69.94 -52.1 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.97 -48.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.48 -43.85 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.42 -36.7 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 130' ' ' GLU . 3.2 mm? -53.97 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -53.32 -50.44 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -46.99 -36.62 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -96.32 -19.5 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 126' ' ' LEU . 1.2 tm-20 -72.47 -1.04 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 123.9 48.74 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.71 18.83 7.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -99.17 37.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -158.12 117.06 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 36.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.472 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -69.89 -60.41 3.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.0 Cg_endo -69.77 -26.16 27.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.55 -37.42 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.12 -41.29 75.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 tp -55.15 -36.98 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.01 -44.5 60.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.28 -26.7 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.5 mtm -69.47 -32.59 71.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.41 -48.11 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -51.64 -56.21 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -55.91 -26.47 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.75 -63.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.0 mt -51.52 -28.04 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.07 -57.74 3.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.06 -35.04 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -63.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.03 -24.45 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.13 -45.37 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -77.76 -51.78 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -40.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.0 -53.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.49 -45.2 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.86 -50.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -50.31 -32.03 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -97.19 -22.86 16.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 4.4 mm-40 -71.59 -1.37 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.06 52.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.33 27.07 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -150.8 82.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -157.17 119.02 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.43 37.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.464 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -70.11 -60.48 3.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.046 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 53.2 Cg_endo -69.77 -23.62 30.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.366 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.79 -38.15 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.73 -43.5 85.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.8 tp -54.23 -36.71 63.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.76 -45.27 49.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -73.84 -26.5 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtm -70.58 -30.01 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.27 -46.85 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -51.55 -57.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -58.81 -25.9 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -63.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 77.8 mt -52.28 -27.33 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.0 -57.99 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.2 mt -50.46 -35.36 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 22.3 mt -59.63 -63.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.69 -24.33 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mt -71.9 -45.88 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -77.57 -50.99 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.78 -40.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.52 -52.87 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.14 -33.75 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.79 -45.71 81.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.455 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.8 OUTLIER -69.37 -51.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -49.2 -32.35 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -95.13 -25.07 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.455 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -73.62 0.91 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 49.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -147.23 84.12 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -149.99 76.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.131 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -156.66 118.04 3.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -105.23 37.37 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -70.46 -60.32 3.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.543 0.687 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.78 -28.22 25.4 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.88 -35.19 67.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -49.22 78.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.99 -35.51 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -50.38 -42.43 53.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.79 -26.51 54.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -34.59 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.99 -46.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.75 -58.41 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -59.45 -20.89 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.59 -64.15 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 78.6 mt -53.5 -26.21 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.07 -59.71 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.61 -36.3 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.86 -65.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.92 -24.31 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mt -72.32 -46.02 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -80.07 -25.19 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.06 -31.74 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 t -81.63 -35.58 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.69 -31.88 73.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -69.24 -50.55 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.93 -32.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.79 -21.68 16.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 5.6 mm-40 -70.95 -2.44 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.83 51.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -127.89 19.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -110.8 41.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -157.15 117.59 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 m -104.11 37.13 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.474 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -70.19 -60.3 3.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 53.1 Cg_endo -69.8 -27.52 26.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -73.42 -36.07 65.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.85 82.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.87 -35.63 33.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -50.51 -44.05 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -75.01 -26.66 59.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -35.98 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.63 -49.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -52.39 -57.46 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -57.16 -24.06 51.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.73 -63.7 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.04 -25.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.81 -59.36 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.96 -36.72 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 26.1 mt -59.97 -65.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.28 -24.26 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mt -73.29 -44.88 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -80.67 -25.19 38.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -80.28 -32.44 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.82 -34.72 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.55 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mp -58.62 -45.19 89.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.559 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.13 -51.11 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -49.44 -32.6 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -97.01 -22.24 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.559 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -71.08 -2.36 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -130.54 20.59 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -106.47 44.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -157.38 116.27 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -103.93 36.63 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.47 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -68.99 -60.3 4.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.76 -20.57 34.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -81.4 -37.55 27.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -38.37 80.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -51.45 -36.99 46.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -49.63 -49.49 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -58.73 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -51.3 -59.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -50.32 -58.01 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -54.96 -31.34 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -69.91 -63.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -49.54 -29.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.54 -59.5 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.4 mt -50.21 -39.56 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.2 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -26.58 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 mt -70.15 -53.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -72.46 -25.16 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 mp -74.49 -33.07 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.0 t -79.08 -40.99 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.83 -33.77 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mp -55.98 -44.57 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.449 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 1.2 mt -69.8 -52.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -49.53 -31.41 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -95.58 -25.29 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 11.0 mt-10 -73.44 0.81 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.22 49.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -148.65 88.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -144.24 80.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -156.53 115.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 5.2 m -105.82 35.16 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.482 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -69.83 -60.21 3.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 53.9 Cg_endo -69.74 -18.6 36.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -82.54 -39.56 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -35.98 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.64 -37.24 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -49.38 -49.02 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -69.42 -26.84 64.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.45 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -50.97 -58.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -51.34 -57.3 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -56.23 -28.59 58.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -63.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 35.9 mt -49.41 -29.41 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.98 -59.09 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.02 -39.33 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 28.8 mt -58.46 -65.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -59.39 -25.51 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.8 mt -71.16 -50.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -75.8 -25.2 56.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.2 mp -76.54 -31.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 20.2 t -78.99 -39.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.49 -35.09 71.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.7 mp -55.0 -44.55 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.439 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 1.2 mt -69.52 -52.69 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -49.23 -31.7 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -95.23 -25.62 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 10.7 mt-10 -73.02 0.79 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 50.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -149.06 87.7 1.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -144.39 77.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -154.67 116.89 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -108.58 38.32 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.462 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -69.98 -60.45 3.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.8 -26.58 27.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.226 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -75.91 -34.14 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.38 -34.77 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 tp -51.22 -37.9 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -50.2 -43.86 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -75.05 -26.79 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.0 mtt -70.34 -37.33 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.81 -44.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.2 -50.88 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -53.34 -28.37 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -70.86 -63.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.4 mt -53.12 -27.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -54.05 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.0 -46.25 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.9 mt -50.7 -64.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -60.01 -33.52 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 mt -60.56 -51.17 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -72.7 -50.12 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mp -49.46 -36.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.43 -29.88 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.02 -42.48 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.55 -47.05 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -67.45 -50.93 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.12 -32.65 10.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.26 -22.08 16.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.554 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 2.9 mm-40 -71.51 -1.62 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.15 49.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -130.18 21.88 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.5 37.8 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -154.81 116.64 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 18.0 m -109.08 38.33 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.477 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -69.72 -60.39 3.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.62 0.724 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 54.0 Cg_endo -69.73 -26.82 27.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -75.99 -33.92 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.42 -34.8 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 2.7 tp -51.32 -38.24 51.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -50.46 -43.23 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -75.54 -27.21 58.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.3 mtt -69.67 -37.17 76.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.31 -44.21 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.43 -50.01 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.8 t -53.8 -28.95 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -70.62 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.58 -28.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 -54.31 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.98 -45.91 61.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 10.8 mt -51.63 -64.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -31.05 70.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.3 mt -62.97 -53.01 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -69.65 -48.97 58.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.4 mp -48.73 -37.44 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.6 -30.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.63 -41.21 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.78 -47.54 64.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.529 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -67.36 -50.9 58.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -49.81 -32.09 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -97.17 -22.15 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.529 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 3.0 mm-40 -73.16 -0.7 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.99 49.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -136.19 21.82 3.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 40.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.832 0.348 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -153.74 116.5 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -117.02 36.81 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.484 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -69.25 -60.18 4.37 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.74 -25.01 29.14 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -76.36 -37.49 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.38 -36.73 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -37.72 56.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -49.95 -44.12 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtt -69.99 -31.59 69.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.82 -57.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.33 -54.12 29.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -55.92 -25.0 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.57 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.3 mt -53.3 -26.27 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.13 -57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.8 mt -51.45 -35.54 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 mt -61.24 -64.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -62.83 -24.04 67.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mt -72.44 -53.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -68.51 -52.36 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.82 -51.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.97 -40.92 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.01 -38.19 70.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -53.88 -50.54 66.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -49.69 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 25.2 t60 -48.77 -34.28 11.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.83 -26.39 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.18 11.36 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.74 57.29 0.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 28' ' ' HIS . 23.9 t-105 -47.59 -27.96 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.704 0.288 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -90.43 51.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.2 ptm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -154.78 115.57 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 74.9 m -117.99 37.06 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.476 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -69.88 -60.35 3.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 53.7 Cg_endo -69.8 -26.43 27.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -75.35 -35.47 61.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.42 -39.71 76.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -57.06 -38.05 72.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -50.19 -45.77 53.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -73.06 -26.6 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.9 mtt -69.7 -32.4 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -83.35 -54.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -53.56 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -52.08 -31.0 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.85 -63.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 62.8 mt -53.43 -25.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.1 -56.15 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.3 -37.14 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 19.0 mt -60.14 -64.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -62.89 -24.2 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mt -72.43 -53.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -68.41 -52.25 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -50.27 -50.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.14 -41.42 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.45 -37.58 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.56 -50.06 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -49.3 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -49.1 -34.29 13.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -94.96 -26.27 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -79.84 11.02 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.7 57.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -47.63 -27.84 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -91.14 51.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -154.72 116.74 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -115.06 34.91 4.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -71.86 -60.96 2.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.76 -36.8 10.15 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.6 -24.85 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.69 -48.19 64.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -38.05 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -34.22 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -84.43 -32.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -69.95 -34.19 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.27 -45.75 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -51.49 -60.45 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -56.48 -25.03 49.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.9 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.7 mt -51.94 -27.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.06 -58.26 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.7 mt -49.34 -35.68 19.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.4 mt -62.43 -64.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -24.64 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 mt -74.24 -57.78 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -62.29 -53.14 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -49.41 -52.65 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.25 -34.29 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.92 -32.98 73.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.41 -44.78 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -68.88 -52.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -49.18 -32.1 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.23 -24.95 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 13.5 mt-10 -73.55 0.76 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.2 49.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -148.1 86.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -100.58 37.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -155.96 115.96 3.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.1 m -115.79 34.55 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.458 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -71.43 -60.83 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 53.8 Cg_endo -69.72 -36.61 10.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -67.82 -25.19 65.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.82 -49.57 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.32 -38.03 62.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -34.2 11.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -84.75 -37.92 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -63.62 -35.57 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.22 -48.28 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.26 -59.26 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 12.6 t -57.22 -23.54 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 43.1 mt -52.03 -26.52 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.32 -61.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 15.2 mt -49.37 -35.72 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 32.6 mt -64.03 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.06 -25.48 63.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 10.4 mt -71.67 -58.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -62.27 -54.36 41.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -47.0 -53.19 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 41.4 t -68.4 -32.88 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.72 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . 0.467 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.28 -52.34 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -49.32 -32.1 10.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.06 -25.04 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . 0.467 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.5 mt-10 -73.35 0.43 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.33 49.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -147.56 85.77 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -104.21 39.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 52.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.737 0.303 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -154.35 115.08 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -99.01 35.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' N ' ' HD2' ' A' ' 5' ' ' PRO . . . -69.75 -60.33 3.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 4' ' ' ALA . 53.7 Cg_endo -69.79 -24.29 29.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -77.39 -35.64 54.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.98 -38.06 69.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.59 -41.83 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -77.61 -25.93 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 mtm -75.02 -24.93 58.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.42 -55.54 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -52.17 -48.87 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -63.51 -21.91 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mp -52.96 -27.01 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -58.99 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.01 -37.98 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -60.35 -66.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -28.81 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mt -66.81 -51.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mp -67.17 -35.88 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -71.52 -45.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.24 -36.55 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.83 -57.93 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -59.0 -49.7 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -49.08 -32.24 9.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.1 -20.33 17.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -5.88 23.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 46.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -117.54 18.55 14.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -110.23 38.05 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.777 0.323 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -154.43 115.13 3.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.0 p -99.16 35.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' B' ' 105' ' ' PRO . . . -70.14 -60.31 3.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' B' ' 104' ' ' ALA . 53.9 Cg_endo -69.76 -25.11 28.92 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -76.39 -35.66 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -45.86 90.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.25 -38.46 71.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -50.37 -41.92 52.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -77.53 -25.99 50.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.5 mtm -73.12 -23.49 60.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 3.3 mt -82.23 -56.35 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.8 -49.15 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -62.92 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -64.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 3.9 mp -53.4 -26.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.34 -58.88 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.87 -38.18 34.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ILE . . . . . . . . . . . . . 25.3 mt -58.72 -65.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -59.96 -26.86 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ILE . . . . . . . . . . . . . 4.6 mt -68.98 -49.43 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -75.64 -32.55 60.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 1.2 mp -67.43 -37.3 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 24.9 t -70.97 -43.75 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 16.8 mt -53.14 -36.31 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -53.83 -56.79 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -49.49 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -49.79 -30.69 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.7 -21.31 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.75 -5.68 22.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.35 46.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.08 18.42 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -109.68 39.43 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.1 mm? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -50.86 -35.76 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -84.23 -27.39 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -29.03 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.98 -57.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -52.47 -55.08 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.6 m -52.66 -31.1 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -63.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 19' ' ' ILE . 49.6 mt -51.04 -28.05 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -82.71 -57.54 3.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.881 HD12 HD12 ' B' ' 118' ' ' LEU . 12.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 16' ' ' ILE . 23.6 mt -60.24 -64.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -63.05 -24.29 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.01 -53.01 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.6 m-85 -69.34 -52.87 23.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.432 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.2 -50.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.42 -43.02 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.0 mt -54.22 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.5 mm? -53.09 -59.87 4.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -50.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -47.93 -34.5 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -97.25 -19.79 18.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.83 -3.38 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.45 46.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -29.48 65.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.59 -57.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -52.2 -54.82 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.6 m -53.18 -31.13 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -63.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.491 ' HA ' HD12 ' B' ' 119' ' ' ILE . 48.9 mt -51.09 -28.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.481 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.68 -57.39 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.881 HD12 HD12 ' A' ' 18' ' ' LEU . 12.1 mt -51.54 -36.6 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 116' ' ' ILE . 24.7 mt -60.37 -64.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.87 -24.34 67.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 117' ' ' LEU . 4.7 mt -72.05 -53.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.684 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.4 m-85 -68.9 -53.05 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.43 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.1 -50.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.56 -42.63 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.2 mt -54.58 -38.85 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.5 mm? -52.58 -59.08 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -50.35 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -48.12 -33.68 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.64 -21.29 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.19 -2.79 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.82 45.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.9 mm? . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.06 -49.84 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.98 -39.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -39.61 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.12 -54.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -50.44 -49.25 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -51.63 -34.16 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.7 mp -50.54 -28.13 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -82.42 -59.03 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.902 HD12 HD12 ' B' ' 118' ' ' LEU . 15.1 mt -51.8 -35.99 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 23' ' ' ILE . 27.6 mt -61.43 -65.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -62.2 -24.15 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.55 HD11 HD22 ' A' ' 17' ' ' LEU . 4.7 mt -72.09 -53.48 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -69.52 -52.02 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.63 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.67 -49.2 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.44 -38.71 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.5 mt -59.2 -33.85 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.3 mm? -57.01 -45.72 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -68.27 -52.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -48.64 -32.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.13 -25.2 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 14.8 mt-10 -73.46 1.38 9.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.37 49.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 30.1 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.14 74.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' ILE . . . . . 0.696 ' O ' HD12 ' B' ' 116' ' ' ILE . 2.5 mp -84.26 -54.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.13 -49.91 50.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -50.88 -33.54 24.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.696 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.7 mp -51.37 -27.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -82.72 -58.87 2.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.902 HD12 HD12 ' A' ' 18' ' ' LEU . 13.9 mt -50.58 -36.06 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.5 mt -60.91 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.6 -24.24 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.534 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -72.32 -53.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.738 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.7 m-85 -68.94 -51.81 35.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.603 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.24 -48.37 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.66 -39.26 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.99 -33.26 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.63 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -56.98 -44.74 82.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.9 OUTLIER -68.92 -51.95 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -49.1 -32.4 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.08 -25.19 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.8 mt-10 -73.41 1.0 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.9 50.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.313 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.64 -38.26 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 14' ' ' THR . 41.7 t80 -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.53 -38.8 74.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.03 -50.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.1 -57.8 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 10' ' ' PHE . 14.5 t -56.41 -24.96 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -67.86 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.6 mt -53.59 -24.29 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 21' ' ' ILE . 1.2 mt -82.71 -58.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.984 HD12 HD12 ' B' ' 118' ' ' LEU . 13.8 mt -51.18 -35.61 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.6 mt -61.83 -64.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.26 -24.09 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.527 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -71.88 -52.26 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.8 m-85 -70.64 -52.13 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.575 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.69 -47.84 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.77 -44.33 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.8 mt -53.12 -36.08 60.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.1 mm? -54.69 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -52.6 -50.44 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -46.9 -36.89 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -96.64 -18.94 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.1 tm-20 -72.05 -1.43 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.7 48.59 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' PHE . . . . . 0.476 ' O ' HG22 ' B' ' 114' ' ' THR . 40.1 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.15 -38.72 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -77.06 -50.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.02 -58.01 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.476 HG22 ' O ' ' B' ' 110' ' ' PHE . 13.5 t -55.56 -26.65 44.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -67.34 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.622 ' HA ' HD12 ' B' ' 119' ' ' ILE . 63.3 mt -53.63 -24.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.59 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.8 -57.32 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.984 HD12 HD12 ' A' ' 18' ' ' LEU . 13.7 mt -51.89 -35.81 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.1 mt -61.79 -64.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.2 -24.43 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.59 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -71.69 -52.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 21.8 m-85 -69.94 -52.1 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.565 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.97 -48.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.48 -43.85 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.0 mt -53.42 -36.7 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.575 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -53.97 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.7 OUTLIER -53.32 -50.44 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -46.99 -36.62 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -96.32 -19.5 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 1.2 tm-20 -72.47 -1.04 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 123.9 48.74 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.6 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.01 -44.5 60.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.28 -26.7 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.5 mtm -69.47 -32.59 71.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.41 -48.11 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -51.64 -56.21 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -55.91 -26.47 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.75 -63.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.0 mt -51.52 -28.04 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -83.07 -57.74 3.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.833 HD12 HD12 ' B' ' 118' ' ' LEU . 12.5 mt -50.06 -35.04 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.2 mt -59.77 -63.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.03 -24.45 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.606 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.13 -45.37 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.9 m-85 -77.76 -51.78 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -40.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.0 -53.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.49 -45.2 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.86 -50.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -50.31 -32.03 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -97.19 -22.86 16.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 4.4 mm-40 -71.59 -1.37 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.06 52.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtm -70.58 -30.01 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.27 -46.85 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -51.55 -57.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -58.81 -25.9 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -63.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' B' ' 119' ' ' ILE . 77.8 mt -52.28 -27.33 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 121' ' ' ILE . 1.1 mt -83.0 -57.99 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.833 HD12 HD12 ' A' ' 18' ' ' LEU . 13.2 mt -50.46 -35.36 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 116' ' ' ILE . 22.3 mt -59.63 -63.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.69 -24.33 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.587 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -71.9 -45.88 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.739 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.5 m-85 -77.57 -50.99 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.78 -40.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.52 -52.87 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 125' ' ' LEU . 23.0 mt -57.14 -33.75 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.79 -45.71 81.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.482 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.8 OUTLIER -69.37 -51.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -49.2 -32.35 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -95.13 -25.07 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -73.62 0.91 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 49.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.4 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.877 0.37 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -50.38 -42.43 53.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.79 -26.51 54.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -34.59 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.99 -46.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.75 -58.41 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -59.45 -20.89 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.59 -64.15 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.6 mt -53.5 -26.21 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.07 -59.71 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.841 HD12 HD12 ' B' ' 118' ' ' LEU . 14.2 mt -49.61 -36.3 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 16' ' ' ILE . 28.6 mt -60.86 -65.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.92 -24.31 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 17' ' ' LEU . 3.7 mt -72.32 -46.02 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.698 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.0 m-85 -80.07 -25.19 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 HD21 ' B' ' 126' ' ' LEU . 0.7 OUTLIER -80.06 -31.74 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 t -81.63 -35.58 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.69 -31.88 73.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.0 mp -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -69.24 -50.55 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.93 -32.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.79 -21.68 16.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 5.6 mm-40 -70.95 -2.44 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.83 51.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 57.5 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -35.98 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.63 -49.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -52.39 -57.46 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -57.16 -24.06 51.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.73 -63.7 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' B' ' 119' ' ' ILE . 76.3 mt -54.04 -25.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.565 HD22 HD11 ' B' ' 121' ' ' ILE . 0.8 OUTLIER -82.81 -59.36 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 14.2 mt -49.96 -36.72 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 116' ' ' ILE . 26.1 mt -59.97 -65.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.28 -24.26 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.565 HD11 HD22 ' B' ' 117' ' ' LEU . 3.5 mt -73.29 -44.88 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.711 ' O ' HD13 ' B' ' 126' ' ' LEU . 23.6 m-85 -80.67 -25.19 38.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.486 HG13 HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -32.44 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.82 -34.72 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.55 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.711 HD13 ' O ' ' B' ' 122' ' ' PHE . 3.4 mp -58.62 -45.19 89.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.13 -51.11 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -49.44 -32.6 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -97.01 -22.24 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -71.08 -2.36 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.5 mm? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.851 0.358 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -49.63 -49.49 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -58.73 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -51.3 -59.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -50.32 -58.01 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -54.96 -31.34 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -69.91 -63.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -49.54 -29.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -82.54 -59.5 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD12 HD12 ' B' ' 118' ' ' LEU . 11.4 mt -50.21 -39.56 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 23' ' ' ILE . 26.9 mt -59.2 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -57.94 -26.58 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.594 HD11 HD22 ' A' ' 17' ' ' LEU . 5.5 mt -70.15 -53.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.4 m-85 -72.46 -25.16 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 19' ' ' ILE . 1.2 mp -74.49 -33.07 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 20' ' ' PHE . 38.0 t -79.08 -40.99 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.83 -33.77 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.2 mp -55.98 -44.57 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 1.2 mt -69.8 -52.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -49.53 -31.41 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -95.58 -25.29 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 11.0 mt-10 -73.44 0.81 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.22 49.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.925 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.45 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -50.97 -58.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -51.34 -57.3 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -56.23 -28.59 58.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -63.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 35.9 mt -49.41 -29.41 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.568 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -82.98 -59.09 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.962 HD12 HD12 ' A' ' 18' ' ' LEU . 10.9 mt -51.02 -39.33 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.408 ' O ' HD13 ' B' ' 123' ' ' ILE . 28.8 mt -58.46 -65.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.47 ' O ' HG23 ' B' ' 124' ' ' VAL . 38.2 t80 -59.39 -25.51 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.568 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -71.16 -50.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.596 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.4 m-85 -75.8 -25.2 56.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.408 HD13 ' O ' ' B' ' 119' ' ' ILE . 1.2 mp -76.54 -31.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 120' ' ' PHE . 20.2 t -78.99 -39.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.49 -35.09 71.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.445 HD13 ' O ' ' B' ' 122' ' ' PHE . 2.7 mp -55.0 -44.55 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 1.2 mt -69.52 -52.69 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.409 ' N ' HG22 ' B' ' 127' ' ' ILE . 32.8 t-80 -49.23 -31.7 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -95.23 -25.62 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 10.7 mt-10 -73.02 0.79 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 50.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 12' ' ' ILE . 2.6 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -50.2 -43.86 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -75.05 -26.79 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 8' ' ' LEU . 8.0 mtt -70.34 -37.33 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -83.81 -44.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.2 -50.88 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -53.34 -28.37 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -70.86 -63.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.563 ' HA ' HD12 ' A' ' 19' ' ' ILE . 57.4 mt -53.12 -27.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD22 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -82.91 -54.05 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 22' ' ' PHE . 12.1 mt -52.0 -46.25 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.9 mt -50.7 -64.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' VAL . 45.2 t80 -60.01 -33.52 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.631 HD11 HD22 ' A' ' 17' ' ' LEU . 4.5 mt -60.56 -51.17 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 53.6 m-85 -72.7 -50.12 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.543 HG13 HD11 ' B' ' 126' ' ' LEU . 1.4 mp -49.46 -36.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' PHE . 57.8 t -81.43 -29.88 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 25' ' ' LEU . 12.4 mt -71.02 -42.48 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.55 HD11 HG13 ' B' ' 123' ' ' ILE . 3.3 mm? -51.55 -47.05 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -67.45 -50.93 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.12 -32.65 10.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.26 -22.08 16.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 2.9 mm-40 -71.51 -1.62 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.15 49.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.4 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.3 mtt -69.67 -37.17 76.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.31 -44.21 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.43 -50.01 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.8 t -53.8 -28.95 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -70.62 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' B' ' 119' ' ' ILE . 57.5 mt -52.58 -28.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.651 HD22 HD11 ' B' ' 121' ' ' ILE . 0.4 OUTLIER -82.38 -54.31 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' B' ' 122' ' ' PHE . 11.9 mt -50.98 -45.91 61.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 116' ' ' ILE . 10.8 mt -51.63 -64.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -31.05 70.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.651 HD11 HD22 ' B' ' 117' ' ' LEU . 4.3 mt -62.97 -53.01 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' B' ' 118' ' ' LEU . 59.9 m-85 -69.65 -48.97 58.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.55 HG13 HD11 ' A' ' 26' ' ' LEU . 1.4 mp -48.73 -37.44 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.6 -30.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.63 -41.21 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' ILE . 3.3 mm? -51.78 -47.54 64.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -67.36 -50.9 58.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -49.81 -32.09 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -97.17 -22.15 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.552 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 3.0 mm-40 -73.16 -0.7 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.99 49.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -49.95 -44.12 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtt -69.99 -31.59 69.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 mp -81.82 -57.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.33 -54.12 29.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -55.92 -25.0 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.57 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.3 mt -53.3 -26.27 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -83.13 -57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 118' ' ' LEU . 12.8 mt -51.45 -35.54 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 16' ' ' ILE . 25.1 mt -61.24 -64.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -62.83 -24.04 67.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.587 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.44 -53.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.713 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.3 m-85 -68.51 -52.36 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.82 -51.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.97 -40.92 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.01 -38.19 70.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.4 mm? -53.88 -50.54 66.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -66.57 -49.69 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 25.2 t60 -48.77 -34.28 11.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.83 -26.39 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 43.5 mt-10 -80.18 11.36 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.74 57.29 0.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 28' ' ' HIS . 23.9 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.704 0.288 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.9 mtt -69.7 -32.4 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -83.35 -54.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -53.56 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -52.08 -31.0 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.85 -63.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.583 ' HA ' HD12 ' B' ' 119' ' ' ILE . 62.8 mt -53.43 -25.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.596 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -83.1 -56.15 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.83 HD12 HD12 ' A' ' 18' ' ' LEU . 12.6 mt -52.3 -37.14 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.0 mt -60.14 -64.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -62.89 -24.2 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.596 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -72.43 -53.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.71 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.8 m-85 -68.41 -52.25 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.432 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.27 -50.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.14 -41.42 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.45 -37.58 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.2 mm? -53.56 -50.06 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -66.84 -49.3 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 128' ' ' HIS . . . . . 0.407 ' HA ' ' HB2' ' B' ' 132' ' ' TRP . 21.6 t-80 -49.1 -34.29 13.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -94.96 -26.27 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 43.0 mt-10 -79.84 11.02 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.7 57.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' B' ' 128' ' ' HIS . 27.1 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -34.22 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -84.43 -32.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -69.95 -34.19 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.27 -45.75 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -51.49 -60.45 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -56.48 -25.03 49.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.9 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.7 mt -51.94 -27.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -83.06 -58.26 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.811 HD12 HD12 ' B' ' 118' ' ' LEU . 12.7 mt -49.34 -35.68 19.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' ILE . 22.4 mt -62.43 -64.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' HD1' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -61.05 -24.64 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.608 HD11 HD22 ' A' ' 17' ' ' LEU . 8.0 mt -74.24 -57.78 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.773 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.9 m-85 -62.29 -53.14 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.589 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.41 -52.65 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.444 HG23 ' HD1' ' A' ' 20' ' ' PHE . 41.1 t -67.25 -34.29 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.92 -32.98 73.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.8 mm? -58.41 -44.78 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -68.88 -52.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -49.18 -32.1 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.23 -24.95 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 13.5 mt-10 -73.55 0.76 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.2 49.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 110' ' ' PHE . . . . . 0.584 ' O ' HG22 ' B' ' 114' ' ' THR . 6.1 t80 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.871 0.367 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -63.62 -35.57 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.22 -48.28 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.26 -59.26 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.584 HG22 ' O ' ' B' ' 110' ' ' PHE . 12.6 t -57.22 -23.54 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 43.1 mt -52.03 -26.52 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.582 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.32 -61.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 18' ' ' LEU . 15.2 mt -49.37 -35.72 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.426 ' CG2' HD13 ' B' ' 123' ' ' ILE . 32.6 mt -64.03 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' B' ' 124' ' ' VAL . 0.1 OUTLIER -59.06 -25.48 63.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.582 HD11 HD22 ' B' ' 117' ' ' LEU . 10.4 mt -71.67 -58.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.646 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 17.8 m-85 -62.27 -54.36 41.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.544 ' CG1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -47.0 -53.19 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.446 HG23 ' HD1' ' B' ' 120' ' ' PHE . 41.4 t -68.4 -32.88 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.72 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.589 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.4 mm? -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.491 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.28 -52.34 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -49.32 -32.1 10.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.06 -25.04 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.5 mt-10 -73.35 0.43 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.33 49.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.884 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.0 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.59 -41.83 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 14' ' ' THR . 40.6 t80 -77.61 -25.93 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 mtm -75.02 -24.93 58.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.4 mt -80.42 -55.54 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -52.17 -48.87 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 10' ' ' PHE . 15.2 t -63.51 -21.91 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.8 mp -52.96 -27.01 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.02 -58.99 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 HD12 ' B' ' 118' ' ' LEU . 12.1 mt -49.01 -37.98 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HD13 ' A' ' 23' ' ' ILE . 25.5 mt -60.35 -66.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.67 -28.81 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.529 HD11 HD22 ' A' ' 17' ' ' LEU . 4.3 mt -66.81 -51.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.663 HG13 HD21 ' B' ' 126' ' ' LEU . 1.3 mp -67.17 -35.88 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 20' ' ' PHE . 40.7 t -71.52 -45.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.24 -36.55 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD21 HG13 ' B' ' 123' ' ' ILE . 3.2 mm? -53.83 -57.93 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -59.0 -49.7 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -49.08 -32.24 9.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.1 -20.33 17.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -68.88 -5.88 23.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 46.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.91 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 110' ' ' PHE . . . . . 0.443 ' O ' HG22 ' B' ' 114' ' ' THR . 47.3 t80 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.5 mtm -73.12 -23.49 60.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 116' ' ' ILE . 3.3 mt -82.23 -56.35 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.8 -49.15 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 110' ' ' PHE . 14.9 t -62.92 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -64.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ILE . . . . . 0.668 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.9 mp -53.4 -26.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.34 -58.88 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 18' ' ' LEU . 12.5 mt -49.87 -38.18 34.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.3 mt -58.72 -65.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' PHE . . . . . 0.51 ' O ' HG23 ' B' ' 124' ' ' VAL . 53.9 t80 -59.96 -26.86 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ILE . . . . . 0.553 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -68.98 -49.43 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' PHE . . . . . 0.668 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.0 m-85 -75.64 -32.55 60.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 26' ' ' LEU . 1.2 mp -67.43 -37.3 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 120' ' ' PHE . 24.9 t -70.97 -43.75 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 16.8 mt -53.14 -36.31 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' LEU . . . . . 0.663 HD21 HG13 ' A' ' 23' ' ' ILE . 2.8 mm? -53.83 -56.79 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.401 ' HA ' ' HG2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -60.02 -49.49 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -49.79 -30.69 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.7 -21.31 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' B' ' 127' ' ' ILE . 0.4 OUTLIER -68.75 -5.68 22.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.35 46.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -110.23 3.76 20.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -128.11 36.9 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.66 -60.06 4.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.568 0.699 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.79 -26.25 27.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.23 -44.67 75.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.1 mm? -52.61 -35.52 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -50.86 -35.76 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -84.23 -27.39 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -29.03 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.98 -57.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -52.47 -55.08 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.6 m -52.66 -31.1 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -63.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 19' ' ' ILE . 49.6 mt -51.04 -28.05 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -82.71 -57.54 3.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.881 HD12 HD12 ' B' ' 118' ' ' LEU . 12.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 16' ' ' ILE . 23.6 mt -60.24 -64.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -63.05 -24.29 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.01 -53.01 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.6 m-85 -69.34 -52.87 23.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.432 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.2 -50.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.42 -43.02 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.0 mt -54.22 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.5 mm? -53.09 -59.87 4.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -50.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -47.93 -34.5 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -97.25 -19.79 18.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.83 -3.38 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.45 46.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 18.27 11.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.76 36.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 39.6 mtt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.23 3.73 20.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m -128.46 36.75 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.785 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.12 -60.05 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 54.1 Cg_endo -69.76 -26.91 27.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -39.63 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.23 -45.21 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.742 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.2 mm? -52.59 -35.55 54.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.02 -35.43 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -84.48 -27.09 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -29.48 65.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.742 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.7 mp -84.59 -57.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -52.2 -54.82 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.6 m -53.18 -31.13 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -63.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.491 ' HA ' HD12 ' B' ' 119' ' ' ILE . 48.9 mt -51.09 -28.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.481 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.68 -57.39 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.881 HD12 HD12 ' A' ' 18' ' ' LEU . 12.1 mt -51.54 -36.6 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 116' ' ' ILE . 24.7 mt -60.37 -64.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.87 -24.34 67.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 117' ' ' LEU . 4.7 mt -72.05 -53.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.684 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.4 m-85 -68.9 -53.05 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.43 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.1 -50.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.56 -42.63 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.2 mt -54.58 -38.85 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.5 mm? -52.58 -59.08 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -50.35 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -48.12 -33.68 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.64 -21.29 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.19 -2.79 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.82 45.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -128.12 18.39 6.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.43 38.3 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.794 0.33 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -154.66 117.95 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -104.76 35.79 2.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.85 -60.72 2.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.77 -41.57 4.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.97 -26.46 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.46 -52.98 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.9 mm? -50.3 -39.85 46.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.06 -49.84 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.98 -39.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -39.61 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.12 -54.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -50.44 -49.25 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -51.63 -34.16 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.7 mp -50.54 -28.13 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -82.42 -59.03 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.902 HD12 HD12 ' B' ' 118' ' ' LEU . 15.1 mt -51.8 -35.99 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 23' ' ' ILE . 27.6 mt -61.43 -65.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -62.2 -24.15 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.55 HD11 HD22 ' A' ' 17' ' ' LEU . 4.7 mt -72.09 -53.48 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -69.52 -52.02 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.63 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.67 -49.2 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.44 -38.71 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.5 mt -59.2 -33.85 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.3 mm? -57.01 -45.72 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -68.27 -52.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -48.64 -32.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.13 -25.2 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 14.8 mt-10 -73.46 1.38 9.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.37 49.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -147.5 86.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 79.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -152.31 116.66 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -103.08 36.1 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.794 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -71.8 -60.86 2.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 111.042 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.794 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.8 Cg_endo -69.74 -41.35 4.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.272 . . . . 0.0 112.327 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.67 -53.97 33.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.75 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.0 mm? -50.67 -39.58 51.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -49.6 -49.44 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.79 -39.59 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.14 74.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.75 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.5 mp -84.26 -54.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -50.13 -49.91 50.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -50.88 -33.54 24.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.696 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.7 mp -51.37 -27.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -82.72 -58.87 2.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.902 HD12 HD12 ' A' ' 18' ' ' LEU . 13.9 mt -50.58 -36.06 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.5 mt -60.91 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.6 -24.24 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.534 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -72.32 -53.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.738 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.7 m-85 -68.94 -51.81 35.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.603 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.24 -48.37 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.66 -39.26 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.99 -33.26 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.63 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -56.98 -44.74 82.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.9 OUTLIER -68.92 -51.95 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -49.1 -32.4 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.08 -25.19 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.8 mt-10 -73.41 1.0 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.9 50.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -148.97 87.05 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.313 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.3 76.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -154.49 117.38 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -115.01 37.09 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -70.58 -60.55 3.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 111.055 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.7 -25.41 28.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -76.93 -33.47 57.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.12 -34.11 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.3 mt -62.38 -42.79 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.64 -38.26 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 14' ' ' THR . 41.7 t80 -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.53 -38.8 74.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.03 -50.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.1 -57.8 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 10' ' ' PHE . 14.5 t -56.41 -24.96 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -67.86 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.6 mt -53.59 -24.29 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 21' ' ' ILE . 1.2 mt -82.71 -58.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.984 HD12 HD12 ' B' ' 118' ' ' LEU . 13.8 mt -51.18 -35.61 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.6 mt -61.83 -64.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.26 -24.09 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.527 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -71.88 -52.26 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.8 m-85 -70.64 -52.13 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.575 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.69 -47.84 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.77 -44.33 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.8 mt -53.12 -36.08 60.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.1 mm? -54.69 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -52.6 -50.44 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -46.9 -36.89 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -96.64 -18.94 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.1 tm-20 -72.05 -1.43 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.7 48.59 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.08 18.65 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -105.06 37.86 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -154.27 117.82 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 2.2 m -114.66 37.37 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.49 -60.48 3.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 54.1 Cg_endo -69.8 -25.84 28.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -76.4 -33.63 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.53 -35.21 77.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.763 ' O ' HD12 ' B' ' 112' ' ' ILE . 13.4 mt -62.77 -42.85 99.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.62 -38.35 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' PHE . . . . . 0.476 ' O ' HG22 ' B' ' 114' ' ' THR . 40.1 t80 -80.23 -27.51 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.15 -38.72 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.763 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -77.06 -50.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.02 -58.01 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.476 HG22 ' O ' ' B' ' 110' ' ' PHE . 13.5 t -55.56 -26.65 44.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -67.34 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.622 ' HA ' HD12 ' B' ' 119' ' ' ILE . 63.3 mt -53.63 -24.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.59 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.8 -57.32 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.984 HD12 HD12 ' A' ' 18' ' ' LEU . 13.7 mt -51.89 -35.81 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.1 mt -61.79 -64.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.2 -24.43 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.59 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -71.69 -52.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 21.8 m-85 -69.94 -52.1 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.565 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.97 -48.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.48 -43.85 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.0 mt -53.42 -36.7 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.575 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -53.97 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.7 OUTLIER -53.32 -50.44 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -46.99 -36.62 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -96.32 -19.5 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 1.2 tm-20 -72.47 -1.04 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 123.9 48.74 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.71 18.83 7.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -99.17 37.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -158.12 117.06 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 36.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.89 -60.41 3.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.0 Cg_endo -69.77 -26.16 27.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.55 -37.42 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.12 -41.29 75.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.6 tp -55.15 -36.98 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.01 -44.5 60.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.28 -26.7 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.5 mtm -69.47 -32.59 71.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.41 -48.11 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -51.64 -56.21 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -55.91 -26.47 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.75 -63.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.0 mt -51.52 -28.04 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -83.07 -57.74 3.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.833 HD12 HD12 ' B' ' 118' ' ' LEU . 12.5 mt -50.06 -35.04 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.2 mt -59.77 -63.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.03 -24.45 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.606 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.13 -45.37 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.9 m-85 -77.76 -51.78 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -40.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.0 -53.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.49 -45.2 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.86 -50.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -50.31 -32.03 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -97.19 -22.86 16.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 4.4 mm-40 -71.59 -1.37 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.06 52.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.33 27.07 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -150.8 82.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -157.17 119.02 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.43 37.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.11 -60.48 3.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.046 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.2 Cg_endo -69.77 -23.62 30.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.366 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.79 -38.15 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.73 -43.5 85.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.732 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.8 tp -54.23 -36.71 63.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.76 -45.27 49.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -73.84 -26.5 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtm -70.58 -30.01 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.732 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.7 mp -84.27 -46.85 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -51.55 -57.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -58.81 -25.9 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -63.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' B' ' 119' ' ' ILE . 77.8 mt -52.28 -27.33 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 121' ' ' ILE . 1.1 mt -83.0 -57.99 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.833 HD12 HD12 ' A' ' 18' ' ' LEU . 13.2 mt -50.46 -35.36 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 116' ' ' ILE . 22.3 mt -59.63 -63.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.69 -24.33 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.587 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -71.9 -45.88 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.739 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.5 m-85 -77.57 -50.99 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.78 -40.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.52 -52.87 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 125' ' ' LEU . 23.0 mt -57.14 -33.75 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.79 -45.71 81.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.482 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.8 OUTLIER -69.37 -51.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -49.2 -32.35 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -95.13 -25.07 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -73.62 0.91 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 49.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -147.23 84.12 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -149.99 76.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.131 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -156.66 118.04 3.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -105.23 37.37 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -70.46 -60.32 3.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.543 0.687 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.78 -28.22 25.4 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.88 -35.19 67.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -49.22 78.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.4 mm? -50.99 -35.51 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -50.38 -42.43 53.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.79 -26.51 54.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -34.59 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.99 -46.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.75 -58.41 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -59.45 -20.89 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.59 -64.15 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.6 mt -53.5 -26.21 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.07 -59.71 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.841 HD12 HD12 ' B' ' 118' ' ' LEU . 14.2 mt -49.61 -36.3 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 16' ' ' ILE . 28.6 mt -60.86 -65.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.92 -24.31 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 17' ' ' LEU . 3.7 mt -72.32 -46.02 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.698 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.0 m-85 -80.07 -25.19 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 HD21 ' B' ' 126' ' ' LEU . 0.7 OUTLIER -80.06 -31.74 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 t -81.63 -35.58 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.69 -31.88 73.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.0 mp -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -69.24 -50.55 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -49.93 -32.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.79 -21.68 16.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 5.6 mm-40 -70.95 -2.44 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.83 51.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -127.89 19.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -110.8 41.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -157.15 117.59 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 m -104.11 37.13 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.19 -60.3 3.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.1 Cg_endo -69.8 -27.52 26.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -73.42 -36.07 65.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.85 82.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.748 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.2 mm? -50.87 -35.63 33.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -50.51 -44.05 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -75.01 -26.66 59.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -35.98 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.748 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.5 mp -76.63 -49.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -52.39 -57.46 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -57.16 -24.06 51.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.73 -63.7 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' B' ' 119' ' ' ILE . 76.3 mt -54.04 -25.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.565 HD22 HD11 ' B' ' 121' ' ' ILE . 0.8 OUTLIER -82.81 -59.36 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 14.2 mt -49.96 -36.72 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 116' ' ' ILE . 26.1 mt -59.97 -65.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.28 -24.26 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.565 HD11 HD22 ' B' ' 117' ' ' LEU . 3.5 mt -73.29 -44.88 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.711 ' O ' HD13 ' B' ' 126' ' ' LEU . 23.6 m-85 -80.67 -25.19 38.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.486 HG13 HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -32.44 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.82 -34.72 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.55 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.711 HD13 ' O ' ' B' ' 122' ' ' PHE . 3.4 mp -58.62 -45.19 89.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.13 -51.11 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -49.44 -32.6 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -97.01 -22.24 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -71.08 -2.36 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -130.54 20.59 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -106.47 44.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -157.38 116.27 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -103.93 36.63 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -68.99 -60.3 4.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.76 -20.57 34.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -81.4 -37.55 27.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -38.37 80.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.5 mm? -51.45 -36.99 46.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -49.63 -49.49 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -58.73 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -51.3 -59.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -50.32 -58.01 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -54.96 -31.34 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -69.91 -63.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -49.54 -29.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -82.54 -59.5 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD12 HD12 ' B' ' 118' ' ' LEU . 11.4 mt -50.21 -39.56 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 23' ' ' ILE . 26.9 mt -59.2 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -57.94 -26.58 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.594 HD11 HD22 ' A' ' 17' ' ' LEU . 5.5 mt -70.15 -53.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.4 m-85 -72.46 -25.16 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 19' ' ' ILE . 1.2 mp -74.49 -33.07 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 20' ' ' PHE . 38.0 t -79.08 -40.99 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.83 -33.77 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.2 mp -55.98 -44.57 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 1.2 mt -69.8 -52.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -49.53 -31.41 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -95.58 -25.29 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 11.0 mt-10 -73.44 0.81 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.22 49.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -148.65 88.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -144.24 80.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -156.53 115.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 5.2 m -105.82 35.16 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.791 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -69.83 -60.21 3.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.9 Cg_endo -69.74 -18.6 36.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -82.54 -39.56 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -35.98 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.757 ' O ' HD12 ' B' ' 112' ' ' ILE . 3.5 mm? -50.64 -37.24 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -49.38 -49.02 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -69.42 -26.84 64.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.45 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.757 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -50.97 -58.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -51.34 -57.3 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -56.23 -28.59 58.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -63.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 35.9 mt -49.41 -29.41 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.568 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -82.98 -59.09 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.962 HD12 HD12 ' A' ' 18' ' ' LEU . 10.9 mt -51.02 -39.33 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.408 ' O ' HD13 ' B' ' 123' ' ' ILE . 28.8 mt -58.46 -65.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.47 ' O ' HG23 ' B' ' 124' ' ' VAL . 38.2 t80 -59.39 -25.51 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.568 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -71.16 -50.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.596 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.4 m-85 -75.8 -25.2 56.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.408 HD13 ' O ' ' B' ' 119' ' ' ILE . 1.2 mp -76.54 -31.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 120' ' ' PHE . 20.2 t -78.99 -39.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.49 -35.09 71.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.445 HD13 ' O ' ' B' ' 122' ' ' PHE . 2.7 mp -55.0 -44.55 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 1.2 mt -69.52 -52.69 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.409 ' N ' HG22 ' B' ' 127' ' ' ILE . 32.8 t-80 -49.23 -31.7 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -95.23 -25.62 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 10.7 mt-10 -73.02 0.79 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 50.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -149.06 87.7 1.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -144.39 77.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -154.67 116.89 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -108.58 38.32 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.98 -60.45 3.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.8 -26.58 27.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.226 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -75.91 -34.14 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.38 -34.77 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 12' ' ' ILE . 2.6 tp -51.22 -37.9 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -50.2 -43.86 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -75.05 -26.79 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 8' ' ' LEU . 8.0 mtt -70.34 -37.33 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -83.81 -44.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.2 -50.88 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -53.34 -28.37 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -70.86 -63.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' HA ' HD12 ' A' ' 19' ' ' ILE . 57.4 mt -53.12 -27.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD22 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -82.91 -54.05 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 22' ' ' PHE . 12.1 mt -52.0 -46.25 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.9 mt -50.7 -64.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' VAL . 45.2 t80 -60.01 -33.52 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.631 HD11 HD22 ' A' ' 17' ' ' LEU . 4.5 mt -60.56 -51.17 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 53.6 m-85 -72.7 -50.12 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.543 HG13 HD11 ' B' ' 126' ' ' LEU . 1.4 mp -49.46 -36.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' PHE . 57.8 t -81.43 -29.88 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 25' ' ' LEU . 12.4 mt -71.02 -42.48 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.55 HD11 HG13 ' B' ' 123' ' ' ILE . 3.3 mm? -51.55 -47.05 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -67.45 -50.93 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.12 -32.65 10.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.26 -22.08 16.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 2.9 mm-40 -71.51 -1.62 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.15 49.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -130.18 21.88 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.5 37.8 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -154.81 116.64 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 18.0 m -109.08 38.33 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -69.72 -60.39 3.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.62 0.724 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 54.0 Cg_endo -69.73 -26.82 27.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -75.99 -33.92 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.42 -34.8 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.757 ' O ' HD12 ' B' ' 112' ' ' ILE . 2.7 tp -51.32 -38.24 51.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -50.46 -43.23 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -75.54 -27.21 58.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' MET . . . . . 0.423 ' SD ' HD12 ' B' ' 108' ' ' LEU . 8.3 mtt -69.67 -37.17 76.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.757 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -84.31 -44.21 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.43 -50.01 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.8 t -53.8 -28.95 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -70.62 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' B' ' 119' ' ' ILE . 57.5 mt -52.58 -28.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.651 HD22 HD11 ' B' ' 121' ' ' ILE . 0.4 OUTLIER -82.38 -54.31 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' B' ' 122' ' ' PHE . 11.9 mt -50.98 -45.91 61.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 116' ' ' ILE . 10.8 mt -51.63 -64.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -31.05 70.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.651 HD11 HD22 ' B' ' 117' ' ' LEU . 4.3 mt -62.97 -53.01 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' B' ' 118' ' ' LEU . 59.9 m-85 -69.65 -48.97 58.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.55 HG13 HD11 ' A' ' 26' ' ' LEU . 1.4 mp -48.73 -37.44 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.6 -30.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.63 -41.21 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' ILE . 3.3 mm? -51.78 -47.54 64.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -67.36 -50.9 58.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -49.81 -32.09 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -97.17 -22.15 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.552 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 3.0 mm-40 -73.16 -0.7 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.99 49.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -136.19 21.82 3.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 40.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.832 0.348 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -153.74 116.5 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -117.02 36.81 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.25 -60.18 4.37 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.74 -25.01 29.14 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -76.36 -37.49 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.38 -36.73 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.33 -37.72 56.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -49.95 -44.12 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtt -69.99 -31.59 69.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 mp -81.82 -57.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.33 -54.12 29.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -55.92 -25.0 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.57 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.3 mt -53.3 -26.27 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -83.13 -57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 118' ' ' LEU . 12.8 mt -51.45 -35.54 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 16' ' ' ILE . 25.1 mt -61.24 -64.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -62.83 -24.04 67.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.587 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.44 -53.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.713 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.3 m-85 -68.51 -52.36 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.82 -51.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.97 -40.92 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.01 -38.19 70.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.4 mm? -53.88 -50.54 66.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -66.57 -49.69 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 25.2 t60 -48.77 -34.28 11.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.83 -26.39 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 43.5 mt-10 -80.18 11.36 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.74 57.29 0.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 28' ' ' HIS . 23.9 t-105 -47.59 -27.96 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.704 0.288 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -90.43 51.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.2 ptm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -154.78 115.57 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 74.9 m -117.99 37.06 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -69.88 -60.35 3.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.7 Cg_endo -69.8 -26.43 27.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -75.35 -35.47 61.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.42 -39.71 76.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.748 ' O ' HD12 ' B' ' 112' ' ' ILE . 1.4 mm? -57.06 -38.05 72.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -50.19 -45.77 53.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -73.06 -26.6 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.9 mtt -69.7 -32.4 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.748 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.7 mp -83.35 -54.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -53.56 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -52.08 -31.0 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.85 -63.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.583 ' HA ' HD12 ' B' ' 119' ' ' ILE . 62.8 mt -53.43 -25.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.596 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -83.1 -56.15 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.83 HD12 HD12 ' A' ' 18' ' ' LEU . 12.6 mt -52.3 -37.14 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.0 mt -60.14 -64.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -62.89 -24.2 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.596 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -72.43 -53.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.71 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.8 m-85 -68.41 -52.25 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.432 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.27 -50.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.14 -41.42 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.45 -37.58 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.2 mm? -53.56 -50.06 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -66.84 -49.3 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 128' ' ' HIS . . . . . 0.407 ' HA ' ' HB2' ' B' ' 132' ' ' TRP . 21.6 t-80 -49.1 -34.29 13.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -94.96 -26.27 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 43.0 mt-10 -79.84 11.02 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.7 57.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' B' ' 128' ' ' HIS . 27.1 t-105 -47.63 -27.84 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -91.14 51.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -154.72 116.74 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -115.06 34.91 4.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.797 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.86 -60.96 2.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.797 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.76 -36.8 10.15 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.6 -24.85 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.69 -48.19 64.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -52.72 -38.05 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -34.22 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -84.43 -32.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -69.95 -34.19 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.27 -45.75 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -51.49 -60.45 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -56.48 -25.03 49.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.9 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.7 mt -51.94 -27.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -83.06 -58.26 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.811 HD12 HD12 ' B' ' 118' ' ' LEU . 12.7 mt -49.34 -35.68 19.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' ILE . 22.4 mt -62.43 -64.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' HD1' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -61.05 -24.64 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.608 HD11 HD22 ' A' ' 17' ' ' LEU . 8.0 mt -74.24 -57.78 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.773 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.9 m-85 -62.29 -53.14 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.589 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.41 -52.65 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.444 HG23 ' HD1' ' A' ' 20' ' ' PHE . 41.1 t -67.25 -34.29 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.92 -32.98 73.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.8 mm? -58.41 -44.78 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -68.88 -52.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -49.18 -32.1 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.23 -24.95 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 13.5 mt-10 -73.55 0.76 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.2 49.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -148.1 86.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -100.58 37.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -155.96 115.96 3.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.1 m -115.79 34.55 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -71.43 -60.83 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.8 Cg_endo -69.72 -36.61 10.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -67.82 -25.19 65.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.82 -49.57 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.743 ' O ' HD12 ' B' ' 112' ' ' ILE . 0.9 OUTLIER -53.32 -38.03 62.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -34.2 11.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' PHE . . . . . 0.584 ' O ' HG22 ' B' ' 114' ' ' THR . 6.1 t80 -84.75 -37.92 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -63.62 -35.57 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.743 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -84.22 -48.28 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.26 -59.26 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.584 HG22 ' O ' ' B' ' 110' ' ' PHE . 12.6 t -57.22 -23.54 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 43.1 mt -52.03 -26.52 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.582 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.32 -61.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 18' ' ' LEU . 15.2 mt -49.37 -35.72 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.426 ' CG2' HD13 ' B' ' 123' ' ' ILE . 32.6 mt -64.03 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' B' ' 124' ' ' VAL . 0.1 OUTLIER -59.06 -25.48 63.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.582 HD11 HD22 ' B' ' 117' ' ' LEU . 10.4 mt -71.67 -58.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.646 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 17.8 m-85 -62.27 -54.36 41.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.544 ' CG1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -47.0 -53.19 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.446 HG23 ' HD1' ' B' ' 120' ' ' PHE . 41.4 t -68.4 -32.88 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.72 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.589 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.4 mm? -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.491 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.28 -52.34 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -49.32 -32.1 10.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.06 -25.04 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.5 mt-10 -73.35 0.43 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.33 49.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -147.56 85.77 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -104.21 39.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 52.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.737 0.303 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -154.35 115.08 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -99.01 35.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.75 -60.33 3.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.7 Cg_endo -69.79 -24.29 29.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -77.39 -35.64 54.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.0 mm? -55.98 -38.06 69.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.59 -41.83 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 14' ' ' THR . 40.6 t80 -77.61 -25.93 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 mtm -75.02 -24.93 58.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.4 mt -80.42 -55.54 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -52.17 -48.87 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 10' ' ' PHE . 15.2 t -63.51 -21.91 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.8 mp -52.96 -27.01 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.02 -58.99 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 HD12 ' B' ' 118' ' ' LEU . 12.1 mt -49.01 -37.98 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HD13 ' A' ' 23' ' ' ILE . 25.5 mt -60.35 -66.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.67 -28.81 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.529 HD11 HD22 ' A' ' 17' ' ' LEU . 4.3 mt -66.81 -51.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.663 HG13 HD21 ' B' ' 126' ' ' LEU . 1.3 mp -67.17 -35.88 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 20' ' ' PHE . 40.7 t -71.52 -45.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.24 -36.55 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD21 HG13 ' B' ' 123' ' ' ILE . 3.2 mm? -53.83 -57.93 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -59.0 -49.7 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -49.08 -32.24 9.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.1 -20.33 17.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -68.88 -5.88 23.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 46.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -117.54 18.55 14.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -110.23 38.05 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.777 0.323 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -154.43 115.13 3.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.0 p -99.16 35.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.14 -60.31 3.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.9 Cg_endo -69.76 -25.11 28.92 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -76.39 -35.66 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -45.86 90.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.661 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.1 mm? -56.25 -38.46 71.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -50.37 -41.92 52.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' PHE . . . . . 0.443 ' O ' HG22 ' B' ' 114' ' ' THR . 47.3 t80 -77.53 -25.99 50.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.5 mtm -73.12 -23.49 60.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 116' ' ' ILE . 3.3 mt -82.23 -56.35 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.8 -49.15 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 110' ' ' PHE . 14.9 t -62.92 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -64.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ILE . . . . . 0.668 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.9 mp -53.4 -26.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.34 -58.88 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 18' ' ' LEU . 12.5 mt -49.87 -38.18 34.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.3 mt -58.72 -65.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' PHE . . . . . 0.51 ' O ' HG23 ' B' ' 124' ' ' VAL . 53.9 t80 -59.96 -26.86 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ILE . . . . . 0.553 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -68.98 -49.43 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' PHE . . . . . 0.668 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.0 m-85 -75.64 -32.55 60.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 26' ' ' LEU . 1.2 mp -67.43 -37.3 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 120' ' ' PHE . 24.9 t -70.97 -43.75 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 16.8 mt -53.14 -36.31 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.663 HD21 HG13 ' A' ' 23' ' ' ILE . 2.8 mm? -53.83 -56.79 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.401 ' HA ' ' HG2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -60.02 -49.49 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -49.79 -30.69 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.7 -21.31 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' B' ' 127' ' ' ILE . 0.4 OUTLIER -68.75 -5.68 22.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.35 46.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.08 18.42 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -109.68 39.43 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.1 mm? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -50.86 -35.76 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -84.23 -27.39 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -29.03 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.98 -57.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -52.47 -55.08 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.6 m -52.66 -31.1 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -63.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 19' ' ' ILE . 49.6 mt -51.04 -28.05 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -82.71 -57.54 3.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.881 HD12 HD12 ' B' ' 118' ' ' LEU . 12.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 16' ' ' ILE . 23.6 mt -60.24 -64.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -63.05 -24.29 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.01 -53.01 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.6 m-85 -69.34 -52.87 23.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.432 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.2 -50.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.42 -43.02 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.0 mt -54.22 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.5 mm? -53.09 -59.87 4.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -50.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -47.93 -34.5 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -97.25 -19.79 18.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.83 -3.38 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.45 46.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 37.4 t80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -29.48 65.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.59 -57.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -52.2 -54.82 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.6 m -53.18 -31.13 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -63.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.491 ' HA ' HD12 ' B' ' 119' ' ' ILE . 48.9 mt -51.09 -28.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.481 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.68 -57.39 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.881 HD12 HD12 ' A' ' 18' ' ' LEU . 12.1 mt -51.54 -36.6 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 116' ' ' ILE . 24.7 mt -60.37 -64.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.87 -24.34 67.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 117' ' ' LEU . 4.7 mt -72.05 -53.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.684 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.4 m-85 -68.9 -53.05 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.43 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.1 -50.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.56 -42.63 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.2 mt -54.58 -38.85 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.5 mm? -52.58 -59.08 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -50.35 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -48.12 -33.68 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.64 -21.29 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.19 -2.79 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.82 45.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.9 mm? . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.06 -49.84 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.98 -39.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -39.61 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.12 -54.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.44 -49.25 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -51.63 -34.16 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.7 mp -50.54 -28.13 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -82.42 -59.03 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.902 HD12 HD12 ' B' ' 118' ' ' LEU . 15.1 mt -51.8 -35.99 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 23' ' ' ILE . 27.6 mt -61.43 -65.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -62.2 -24.15 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.55 HD11 HD22 ' A' ' 17' ' ' LEU . 4.7 mt -72.09 -53.48 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -69.52 -52.02 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.63 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.67 -49.2 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.44 -38.71 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.5 mt -59.2 -33.85 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.3 mm? -57.01 -45.72 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -68.27 -52.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -48.64 -32.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.13 -25.2 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 14.8 mt-10 -73.46 1.38 9.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.37 49.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 30.1 t80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.854 0.359 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.14 74.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . 0.696 ' O ' HD12 ' B' ' 116' ' ' ILE . 2.5 mp -84.26 -54.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.13 -49.91 50.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -50.88 -33.54 24.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.696 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.7 mp -51.37 -27.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -82.72 -58.87 2.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.902 HD12 HD12 ' A' ' 18' ' ' LEU . 13.9 mt -50.58 -36.06 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.5 mt -60.91 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.6 -24.24 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.534 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -72.32 -53.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.738 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.7 m-85 -68.94 -51.81 35.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.603 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.24 -48.37 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.66 -39.26 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.99 -33.26 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.63 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -56.98 -44.74 82.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.9 OUTLIER -68.92 -51.95 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -49.1 -32.4 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.08 -25.19 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.8 mt-10 -73.41 1.0 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.9 50.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.313 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.863 0.363 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.64 -38.26 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 14' ' ' THR . 41.7 t80 -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.53 -38.8 74.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.03 -50.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.1 -57.8 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 10' ' ' PHE . 14.5 t -56.41 -24.96 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -67.86 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.6 mt -53.59 -24.29 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 21' ' ' ILE . 1.2 mt -82.71 -58.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.984 HD12 HD12 ' B' ' 118' ' ' LEU . 13.8 mt -51.18 -35.61 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.6 mt -61.83 -64.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.26 -24.09 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.527 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -71.88 -52.26 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.8 m-85 -70.64 -52.13 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.575 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.69 -47.84 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.77 -44.33 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.8 mt -53.12 -36.08 60.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.1 mm? -54.69 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -52.6 -50.44 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -46.9 -36.89 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -96.64 -18.94 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.1 tm-20 -72.05 -1.43 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.7 48.59 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . 0.476 ' O ' HG22 ' B' ' 114' ' ' THR . 40.1 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.819 0.342 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.15 -38.72 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -77.06 -50.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.02 -58.01 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.476 HG22 ' O ' ' B' ' 110' ' ' PHE . 13.5 t -55.56 -26.65 44.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -67.34 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.622 ' HA ' HD12 ' B' ' 119' ' ' ILE . 63.3 mt -53.63 -24.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.59 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.8 -57.32 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.984 HD12 HD12 ' A' ' 18' ' ' LEU . 13.7 mt -51.89 -35.81 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.1 mt -61.79 -64.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.2 -24.43 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.59 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -71.69 -52.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 21.8 m-85 -69.94 -52.1 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.565 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.97 -48.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.48 -43.85 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.0 mt -53.42 -36.7 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.575 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -53.97 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.7 OUTLIER -53.32 -50.44 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -46.99 -36.62 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -96.32 -19.5 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 1.2 tm-20 -72.47 -1.04 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 123.9 48.74 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.6 tp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.361 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.01 -44.5 60.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.28 -26.7 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.5 mtm -69.47 -32.59 71.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.41 -48.11 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -51.64 -56.21 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -55.91 -26.47 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.75 -63.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.0 mt -51.52 -28.04 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -83.07 -57.74 3.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.833 HD12 HD12 ' B' ' 118' ' ' LEU . 12.5 mt -50.06 -35.04 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.2 mt -59.77 -63.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.03 -24.45 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.606 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.13 -45.37 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.9 m-85 -77.76 -51.78 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -40.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.0 -53.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.49 -45.2 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.86 -50.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -50.31 -32.03 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -97.19 -22.86 16.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 4.4 mm-40 -71.59 -1.37 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.06 52.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.2 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.866 0.365 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtm -70.58 -30.01 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -84.27 -46.85 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -51.55 -57.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -58.81 -25.9 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -63.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' B' ' 119' ' ' ILE . 77.8 mt -52.28 -27.33 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 121' ' ' ILE . 1.1 mt -83.0 -57.99 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.833 HD12 HD12 ' A' ' 18' ' ' LEU . 13.2 mt -50.46 -35.36 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 116' ' ' ILE . 22.3 mt -59.63 -63.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.69 -24.33 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.587 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -71.9 -45.88 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.739 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.5 m-85 -77.57 -50.99 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.78 -40.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.52 -52.87 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 125' ' ' LEU . 23.0 mt -57.14 -33.75 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.79 -45.71 81.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.482 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.8 OUTLIER -69.37 -51.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -49.2 -32.35 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -95.13 -25.07 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -73.62 0.91 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 49.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.4 mm? . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.877 0.37 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -50.38 -42.43 53.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.79 -26.51 54.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -34.59 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.99 -46.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.75 -58.41 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -59.45 -20.89 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.59 -64.15 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.6 mt -53.5 -26.21 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.07 -59.71 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.841 HD12 HD12 ' B' ' 118' ' ' LEU . 14.2 mt -49.61 -36.3 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 16' ' ' ILE . 28.6 mt -60.86 -65.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.92 -24.31 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 17' ' ' LEU . 3.7 mt -72.32 -46.02 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.698 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.0 m-85 -80.07 -25.19 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 HD21 ' B' ' 126' ' ' LEU . 0.7 OUTLIER -80.06 -31.74 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 t -81.63 -35.58 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.69 -31.88 73.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.0 mp -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -69.24 -50.55 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.93 -32.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.79 -21.68 16.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 5.6 mm-40 -70.95 -2.44 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.83 51.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 57.5 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -35.98 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.5 mp -76.63 -49.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -52.39 -57.46 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -57.16 -24.06 51.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.73 -63.7 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' B' ' 119' ' ' ILE . 76.3 mt -54.04 -25.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.565 HD22 HD11 ' B' ' 121' ' ' ILE . 0.8 OUTLIER -82.81 -59.36 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 14.2 mt -49.96 -36.72 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 116' ' ' ILE . 26.1 mt -59.97 -65.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.28 -24.26 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.565 HD11 HD22 ' B' ' 117' ' ' LEU . 3.5 mt -73.29 -44.88 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.711 ' O ' HD13 ' B' ' 126' ' ' LEU . 23.6 m-85 -80.67 -25.19 38.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.486 HG13 HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -32.44 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.82 -34.72 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.55 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.711 HD13 ' O ' ' B' ' 122' ' ' PHE . 3.4 mp -58.62 -45.19 89.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.13 -51.11 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -49.44 -32.6 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -97.01 -22.24 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -71.08 -2.36 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.5 mm? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.851 0.358 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -49.63 -49.49 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -58.73 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -51.3 -59.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -50.32 -58.01 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -54.96 -31.34 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -69.91 -63.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -49.54 -29.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -82.54 -59.5 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD12 HD12 ' B' ' 118' ' ' LEU . 11.4 mt -50.21 -39.56 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 23' ' ' ILE . 26.9 mt -59.2 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -57.94 -26.58 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.594 HD11 HD22 ' A' ' 17' ' ' LEU . 5.5 mt -70.15 -53.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.4 m-85 -72.46 -25.16 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 19' ' ' ILE . 1.2 mp -74.49 -33.07 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 20' ' ' PHE . 38.0 t -79.08 -40.99 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.83 -33.77 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.2 mp -55.98 -44.57 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 1.2 mt -69.8 -52.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -49.53 -31.41 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -95.58 -25.29 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 11.0 mt-10 -73.44 0.81 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.22 49.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.925 -179.904 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 39.0 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.45 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -50.97 -58.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -51.34 -57.3 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -56.23 -28.59 58.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -63.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 35.9 mt -49.41 -29.41 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.568 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -82.98 -59.09 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.962 HD12 HD12 ' A' ' 18' ' ' LEU . 10.9 mt -51.02 -39.33 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.408 ' O ' HD13 ' B' ' 123' ' ' ILE . 28.8 mt -58.46 -65.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.47 ' O ' HG23 ' B' ' 124' ' ' VAL . 38.2 t80 -59.39 -25.51 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.568 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -71.16 -50.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.596 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.4 m-85 -75.8 -25.2 56.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.408 HD13 ' O ' ' B' ' 119' ' ' ILE . 1.2 mp -76.54 -31.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 120' ' ' PHE . 20.2 t -78.99 -39.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.49 -35.09 71.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.445 HD13 ' O ' ' B' ' 122' ' ' PHE . 2.7 mp -55.0 -44.55 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 1.2 mt -69.52 -52.69 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.409 ' N ' HG22 ' B' ' 127' ' ' ILE . 32.8 t-80 -49.23 -31.7 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -95.23 -25.62 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 10.7 mt-10 -73.02 0.79 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 50.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 12' ' ' ILE . 2.6 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.865 0.364 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -50.2 -43.86 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -75.05 -26.79 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 8' ' ' LEU . 8.0 mtt -70.34 -37.33 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -83.81 -44.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.2 -50.88 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -53.34 -28.37 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -70.86 -63.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.563 ' HA ' HD12 ' A' ' 19' ' ' ILE . 57.4 mt -53.12 -27.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.631 HD22 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -82.91 -54.05 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 22' ' ' PHE . 12.1 mt -52.0 -46.25 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.9 mt -50.7 -64.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' VAL . 45.2 t80 -60.01 -33.52 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.631 HD11 HD22 ' A' ' 17' ' ' LEU . 4.5 mt -60.56 -51.17 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 53.6 m-85 -72.7 -50.12 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.543 HG13 HD11 ' B' ' 126' ' ' LEU . 1.4 mp -49.46 -36.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' PHE . 57.8 t -81.43 -29.88 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 25' ' ' LEU . 12.4 mt -71.02 -42.48 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.55 HD11 HG13 ' B' ' 123' ' ' ILE . 3.3 mm? -51.55 -47.05 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -67.45 -50.93 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.12 -32.65 10.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.26 -22.08 16.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 2.9 mm-40 -71.51 -1.62 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.15 49.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.4 t80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.3 mtt -69.67 -37.17 76.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.31 -44.21 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.43 -50.01 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.8 t -53.8 -28.95 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -70.62 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' B' ' 119' ' ' ILE . 57.5 mt -52.58 -28.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.651 HD22 HD11 ' B' ' 121' ' ' ILE . 0.4 OUTLIER -82.38 -54.31 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' B' ' 122' ' ' PHE . 11.9 mt -50.98 -45.91 61.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 116' ' ' ILE . 10.8 mt -51.63 -64.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -31.05 70.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.651 HD11 HD22 ' B' ' 117' ' ' LEU . 4.3 mt -62.97 -53.01 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' B' ' 118' ' ' LEU . 59.9 m-85 -69.65 -48.97 58.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.55 HG13 HD11 ' A' ' 26' ' ' LEU . 1.4 mp -48.73 -37.44 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.6 -30.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.63 -41.21 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' ILE . 3.3 mm? -51.78 -47.54 64.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -67.36 -50.9 58.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -49.81 -32.09 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -97.17 -22.15 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.552 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 3.0 mm-40 -73.16 -0.7 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.99 49.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -49.95 -44.12 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtt -69.99 -31.59 69.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 mp -81.82 -57.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.33 -54.12 29.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -55.92 -25.0 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.57 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.3 mt -53.3 -26.27 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -83.13 -57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 118' ' ' LEU . 12.8 mt -51.45 -35.54 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 16' ' ' ILE . 25.1 mt -61.24 -64.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -62.83 -24.04 67.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.587 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.44 -53.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.713 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.3 m-85 -68.51 -52.36 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.82 -51.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.97 -40.92 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.01 -38.19 70.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.4 mm? -53.88 -50.54 66.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -66.57 -49.69 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 25.2 t60 -48.77 -34.28 11.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.83 -26.39 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 43.5 mt-10 -80.18 11.36 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.74 57.29 0.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 28' ' ' HIS . 23.9 t-105 . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.704 0.288 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.9 mtt -69.7 -32.4 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.7 mp -83.35 -54.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -53.56 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -52.08 -31.0 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.85 -63.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.583 ' HA ' HD12 ' B' ' 119' ' ' ILE . 62.8 mt -53.43 -25.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.596 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -83.1 -56.15 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.83 HD12 HD12 ' A' ' 18' ' ' LEU . 12.6 mt -52.3 -37.14 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.0 mt -60.14 -64.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -62.89 -24.2 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.596 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -72.43 -53.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.71 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.8 m-85 -68.41 -52.25 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.432 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.27 -50.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.14 -41.42 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.45 -37.58 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.2 mm? -53.56 -50.06 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -66.84 -49.3 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . 0.407 ' HA ' ' HB2' ' B' ' 132' ' ' TRP . 24.0 t60 -49.1 -34.29 13.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -94.96 -26.27 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 43.0 mt-10 -79.84 11.02 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.7 57.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' B' ' 128' ' ' HIS . 27.1 t-105 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.886 0.374 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -34.22 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -84.43 -32.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -69.95 -34.19 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.27 -45.75 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -51.49 -60.45 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -56.48 -25.03 49.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.9 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.7 mt -51.94 -27.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -83.06 -58.26 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.811 HD12 HD12 ' B' ' 118' ' ' LEU . 12.7 mt -49.34 -35.68 19.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' ILE . 22.4 mt -62.43 -64.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' HD1' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -61.05 -24.64 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.608 HD11 HD22 ' A' ' 17' ' ' LEU . 8.0 mt -74.24 -57.78 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.773 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.9 m-85 -62.29 -53.14 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.589 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.41 -52.65 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.444 HG23 ' HD1' ' A' ' 20' ' ' PHE . 41.1 t -67.25 -34.29 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.92 -32.98 73.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.8 mm? -58.41 -44.78 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -68.88 -52.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -49.18 -32.1 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.23 -24.95 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 13.5 mt-10 -73.55 0.76 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.2 49.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . 0.584 ' O ' HG22 ' B' ' 114' ' ' THR . 6.1 t80 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.871 0.367 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -63.62 -35.57 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mp -84.22 -48.28 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.26 -59.26 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.584 HG22 ' O ' ' B' ' 110' ' ' PHE . 12.6 t -57.22 -23.54 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 43.1 mt -52.03 -26.52 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.582 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.32 -61.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 18' ' ' LEU . 15.2 mt -49.37 -35.72 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.426 ' CG2' HD13 ' B' ' 123' ' ' ILE . 32.6 mt -64.03 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' B' ' 124' ' ' VAL . 0.1 OUTLIER -59.06 -25.48 63.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.582 HD11 HD22 ' B' ' 117' ' ' LEU . 10.4 mt -71.67 -58.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.646 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 17.8 m-85 -62.27 -54.36 41.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.544 ' CG1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -47.0 -53.19 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.446 HG23 ' HD1' ' B' ' 120' ' ' PHE . 41.4 t -68.4 -32.88 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.72 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.589 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.4 mm? -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.491 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.28 -52.34 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -49.32 -32.1 10.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.06 -25.04 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.5 mt-10 -73.35 0.43 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.33 49.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.884 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.0 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.59 -41.83 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 14' ' ' THR . 40.6 t80 -77.61 -25.93 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 mtm -75.02 -24.93 58.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.4 mt -80.42 -55.54 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -52.17 -48.87 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 10' ' ' PHE . 15.2 t -63.51 -21.91 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.8 mp -52.96 -27.01 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.529 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.02 -58.99 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 HD12 ' B' ' 118' ' ' LEU . 12.1 mt -49.01 -37.98 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HD13 ' A' ' 23' ' ' ILE . 25.5 mt -60.35 -66.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.67 -28.81 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.529 HD11 HD22 ' A' ' 17' ' ' LEU . 4.3 mt -66.81 -51.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.663 HG13 HD21 ' B' ' 126' ' ' LEU . 1.3 mp -67.17 -35.88 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 20' ' ' PHE . 40.7 t -71.52 -45.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.24 -36.55 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.687 HD21 HG13 ' B' ' 123' ' ' ILE . 3.2 mm? -53.83 -57.93 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -59.0 -49.7 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -49.08 -32.24 9.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.1 -20.33 17.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -68.88 -5.88 23.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 46.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.91 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' PHE . . . . . 0.443 ' O ' HG22 ' B' ' 114' ' ' THR . 47.3 t80 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.829 0.347 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.5 mtm -73.12 -23.49 60.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 116' ' ' ILE . 3.3 mt -82.23 -56.35 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.8 -49.15 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 110' ' ' PHE . 14.9 t -62.92 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -64.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . 0.668 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.9 mp -53.4 -26.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.34 -58.88 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 18' ' ' LEU . 12.5 mt -49.87 -38.18 34.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.3 mt -58.72 -65.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . 0.51 ' O ' HG23 ' B' ' 124' ' ' VAL . 53.9 t80 -59.96 -26.86 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ILE . . . . . 0.553 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -68.98 -49.43 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' PHE . . . . . 0.668 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.0 m-85 -75.64 -32.55 60.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 26' ' ' LEU . 1.2 mp -67.43 -37.3 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 120' ' ' PHE . 24.9 t -70.97 -43.75 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 16.8 mt -53.14 -36.31 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' LEU . . . . . 0.663 HD21 HG13 ' A' ' 23' ' ' ILE . 2.8 mm? -53.83 -56.79 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.401 ' HA ' ' HG2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -60.02 -49.49 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -49.79 -30.69 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.7 -21.31 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' B' ' 127' ' ' ILE . 0.4 OUTLIER -68.75 -5.68 22.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.35 46.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 mtt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -110.23 3.76 20.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -128.11 36.9 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.66 -60.06 4.16 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.568 0.699 . . . . 0.0 111.124 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.79 -26.25 27.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.301 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.76 -39.78 63.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.23 -44.67 75.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.1 mm? -52.61 -35.52 54.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -50.86 -35.76 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -84.23 -27.39 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -29.03 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.98 -57.47 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -52.47 -55.08 24.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 89.6 m -52.66 -31.1 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.11 -63.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 19' ' ' ILE . 49.6 mt -51.04 -28.05 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -82.71 -57.54 3.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.881 HD12 HD12 ' B' ' 118' ' ' LEU . 12.2 mt -51.51 -36.72 45.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 16' ' ' ILE . 23.6 mt -60.24 -64.08 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -63.05 -24.29 67.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.499 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.01 -53.01 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.674 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.6 m-85 -69.34 -52.87 23.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.432 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.2 -50.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.42 -43.02 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' A' ' 25' ' ' LEU . 10.0 mt -54.22 -38.76 66.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.466 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.5 mm? -53.09 -59.87 4.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -55.36 -50.23 66.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -47.93 -34.5 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.793 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -97.25 -19.79 18.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.83 -3.38 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.45 46.06 0.24 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -120.97 18.27 11.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.722 0.296 . . . . 0.0 110.93 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.76 36.58 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 39.6 mtt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.753 0.311 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -110.23 3.73 20.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 19.9 m -128.46 36.75 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.785 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.12 -60.05 3.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 111.063 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.785 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 54.1 Cg_endo -69.76 -26.91 27.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -39.63 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.23 -45.21 75.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.742 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.2 mm? -52.59 -35.55 54.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -51.02 -35.43 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -84.48 -27.09 27.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -29.48 65.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.742 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.7 mp -84.59 -57.69 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -52.2 -54.82 26.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.6 m -53.18 -31.13 41.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -63.49 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.491 ' HA ' HD12 ' B' ' 119' ' ' ILE . 48.9 mt -51.09 -28.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.481 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.68 -57.39 3.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.881 HD12 HD12 ' A' ' 18' ' ' LEU . 12.1 mt -51.54 -36.6 45.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' B' ' 116' ' ' ILE . 24.7 mt -60.37 -64.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -62.87 -24.34 67.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 117' ' ' LEU . 4.7 mt -72.05 -53.36 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.684 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.4 m-85 -68.9 -53.05 23.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.43 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.1 -50.47 14.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 42.4 t -66.56 -42.63 90.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.2 mt -54.58 -38.85 67.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.459 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.5 mm? -52.58 -59.08 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -56.34 -50.35 72.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -48.12 -33.68 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -96.64 -21.29 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -71.19 -2.79 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.82 45.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -128.12 18.39 6.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.763 0.316 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.43 38.3 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.794 0.33 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -154.66 117.95 4.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -104.76 35.79 2.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.803 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.85 -60.72 2.28 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.803 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.77 -41.57 4.15 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -61.97 -26.46 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.46 -52.98 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.9 mm? -50.3 -39.85 46.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -49.06 -49.84 39.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -67.98 -39.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -39.61 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.12 -54.76 8.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.44 -49.25 55.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.2 m -51.63 -34.16 36.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.7 mp -50.54 -28.13 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -82.42 -59.03 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.902 HD12 HD12 ' B' ' 118' ' ' LEU . 15.1 mt -51.8 -35.99 46.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' CG2' HD13 ' A' ' 23' ' ' ILE . 27.6 mt -61.43 -65.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -62.2 -24.15 67.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.55 HD11 HD22 ' A' ' 17' ' ' LEU . 4.7 mt -72.09 -53.48 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.68 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -69.52 -52.02 30.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.63 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.67 -49.2 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.156 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -68.44 -38.71 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.5 mt -59.2 -33.85 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.3 mm? -57.01 -45.72 82.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.49 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -68.27 -52.21 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.8 t60 -48.64 -32.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -95.13 -25.2 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 14.8 mt-10 -73.46 1.38 9.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.37 49.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -147.5 86.95 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.753 0.311 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 79.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.141 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.4 mpp? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -152.31 116.66 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.8 p -103.08 36.1 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.794 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -71.8 -60.86 2.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 111.042 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.794 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.8 Cg_endo -69.74 -41.35 4.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.272 . . . . 0.0 112.327 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.67 -53.97 33.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.75 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.0 mm? -50.67 -39.58 51.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -49.6 -49.44 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.79 -39.59 84.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -40.14 74.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.75 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.5 mp -84.26 -54.76 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.088 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -50.13 -49.91 50.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 30.5 m -50.88 -33.54 24.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.0 -63.5 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.696 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.7 mp -51.37 -27.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 121' ' ' ILE . 1.0 OUTLIER -82.72 -58.87 2.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.902 HD12 HD12 ' A' ' 18' ' ' LEU . 13.9 mt -50.58 -36.06 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.5 mt -60.91 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.6 -24.24 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.534 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -72.32 -53.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.738 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.7 m-85 -68.94 -51.81 35.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.603 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.24 -48.37 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.12 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.3 t -69.66 -39.26 77.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.6 mt -57.99 -33.26 68.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.63 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -56.98 -44.74 82.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.473 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.9 OUTLIER -68.92 -51.95 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -49.1 -32.4 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.08 -25.19 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.8 mt-10 -73.41 1.0 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.9 50.33 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -148.97 87.05 1.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.758 0.313 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.3 76.54 1.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 55.4 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -154.49 117.38 4.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -115.01 37.09 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -70.58 -60.55 3.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.561 0.696 . . . . 0.0 111.055 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.7 -25.41 28.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.248 . . . . 0.0 112.362 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -76.93 -33.47 57.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -62.12 -34.11 75.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.751 ' O ' HD12 ' A' ' 12' ' ' ILE . 13.3 mt -62.38 -42.79 99.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.64 -38.26 45.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 14' ' ' THR . 41.7 t80 -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.53 -38.8 74.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.03 -50.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.1 -57.8 8.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 10' ' ' PHE . 14.5 t -56.41 -24.96 48.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -67.86 -64.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.6 mt -53.59 -24.29 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.17 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.527 HD22 HD11 ' A' ' 21' ' ' ILE . 1.2 mt -82.71 -58.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.984 HD12 HD12 ' B' ' 118' ' ' LEU . 13.8 mt -51.18 -35.61 37.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.6 mt -61.83 -64.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -63.26 -24.09 67.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.527 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -71.88 -52.26 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.8 m-85 -70.64 -52.13 23.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.575 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.69 -47.84 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.77 -44.33 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.8 mt -53.12 -36.08 60.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.1 mm? -54.69 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -52.6 -50.44 40.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -46.9 -36.89 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -96.64 -18.94 19.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.1 tm-20 -72.05 -1.43 14.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.7 48.59 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -122.08 18.65 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.767 0.318 . . . . 0.0 110.893 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -105.06 37.86 2.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -154.27 117.82 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 2.2 m -114.66 37.37 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.49 -60.48 3.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.577 0.703 . . . . 0.0 111.104 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.782 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 54.1 Cg_endo -69.8 -25.84 28.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -76.4 -33.63 58.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.53 -35.21 77.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.763 ' O ' HD12 ' B' ' 112' ' ' ILE . 13.4 mt -62.77 -42.85 99.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -50.62 -38.35 45.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . 0.476 ' O ' HG22 ' B' ' 114' ' ' THR . 40.1 t80 -80.23 -27.51 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 9.4 mtt -70.15 -38.72 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.763 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -77.06 -50.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -52.02 -58.01 7.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.476 HG22 ' O ' ' B' ' 110' ' ' PHE . 13.5 t -55.56 -26.65 44.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -67.34 -63.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.622 ' HA ' HD12 ' B' ' 119' ' ' ILE . 63.3 mt -53.63 -24.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.124 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.59 HD22 HD11 ' B' ' 121' ' ' ILE . 0.9 OUTLIER -82.8 -57.32 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.984 HD12 HD12 ' A' ' 18' ' ' LEU . 13.7 mt -51.89 -35.81 46.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.1 mt -61.79 -64.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -63.2 -24.43 67.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.59 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -71.69 -52.69 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.625 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 21.8 m-85 -69.94 -52.1 27.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.565 ' CG1' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -49.97 -48.09 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.48 -43.85 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 125' ' ' LEU . 10.0 mt -53.42 -36.7 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.575 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.2 mm? -53.97 -61.71 2.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.7 OUTLIER -53.32 -50.44 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -46.99 -36.62 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -96.32 -19.5 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.423 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 1.2 tm-20 -72.47 -1.04 14.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 123.9 48.74 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -125.71 18.83 7.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 12.5 mtt-85 -99.17 37.89 1.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.1 mtt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -158.12 117.06 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 36.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.89 -60.41 3.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.626 0.727 . . . . 0.0 111.101 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.0 Cg_endo -69.77 -26.16 27.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.55 -37.42 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -56.12 -41.29 75.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.746 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.6 tp -55.15 -36.98 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -51.01 -44.5 60.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.28 -26.7 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.5 mtm -69.47 -32.59 71.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.746 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -84.41 -48.11 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -51.64 -56.21 14.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.6 t -55.91 -26.47 47.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.75 -63.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.625 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.0 mt -51.52 -28.04 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD22 HD11 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -83.07 -57.74 3.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.833 HD12 HD12 ' B' ' 118' ' ' LEU . 12.5 mt -50.06 -35.04 23.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 16' ' ' ILE . 20.2 mt -59.77 -63.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -66.03 -24.45 66.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.606 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.13 -45.37 62.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.772 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.9 m-85 -77.76 -51.78 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -49.9 -40.89 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.1 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 t -70.0 -53.32 24.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.5 mt -56.85 -34.5 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 tp -55.49 -45.2 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -69.86 -50.24 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -50.31 -32.03 15.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -97.19 -22.86 16.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.547 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 4.4 mm-40 -71.59 -1.37 13.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.06 52.71 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.523 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -136.33 27.07 3.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.912 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -150.8 82.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.2 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 21.9 mtt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -157.17 119.02 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.43 37.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.11 -60.48 3.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.046 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.2 Cg_endo -69.77 -23.62 30.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.366 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.79 -38.15 54.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -57.73 -43.5 85.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.732 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.8 tp -54.23 -36.71 63.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -49.76 -45.27 49.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -73.84 -26.5 60.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtm -70.58 -30.01 66.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.732 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.7 mp -84.27 -46.85 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -51.55 -57.36 9.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -58.81 -25.9 63.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.48 -63.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' B' ' 119' ' ' ILE . 77.8 mt -52.28 -27.33 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.587 HD22 HD11 ' B' ' 121' ' ' ILE . 1.1 mt -83.0 -57.99 3.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.833 HD12 HD12 ' A' ' 18' ' ' LEU . 13.2 mt -50.46 -35.36 28.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.603 HD12 ' HA ' ' B' ' 116' ' ' ILE . 22.3 mt -59.63 -63.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -65.69 -24.33 66.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.587 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -71.9 -45.88 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.739 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.5 m-85 -77.57 -50.99 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -50.78 -40.55 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.52 -52.87 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' B' ' 125' ' ' LEU . 23.0 mt -57.14 -33.75 67.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.79 -45.71 81.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.482 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.8 OUTLIER -69.37 -51.99 37.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -49.2 -32.35 10.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -95.13 -25.07 16.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -73.62 0.91 11.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 49.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -147.23 84.12 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.749 0.309 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -149.99 76.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 74.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.131 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.801 0.334 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -156.66 118.04 3.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 m -105.23 37.37 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -70.46 -60.32 3.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.543 0.687 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.2 Cg_endo -69.78 -28.22 25.4 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -72.88 -35.19 67.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.85 -49.22 78.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.4 mm? -50.99 -35.51 34.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -50.38 -42.43 53.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -76.79 -26.51 54.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -34.59 73.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -76.99 -46.65 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -51.75 -58.41 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -59.45 -20.89 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.59 -64.15 0.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' HD12 ' A' ' 19' ' ' ILE . 78.6 mt -53.5 -26.21 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.07 -59.71 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.841 HD12 HD12 ' B' ' 118' ' ' LEU . 14.2 mt -49.61 -36.3 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 16' ' ' ILE . 28.6 mt -60.86 -65.5 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.92 -24.31 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.597 HD11 HD22 ' A' ' 17' ' ' LEU . 3.7 mt -72.32 -46.02 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.698 ' O ' HD13 ' A' ' 26' ' ' LEU . 23.0 m-85 -80.07 -25.19 40.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.461 HG13 HD21 ' B' ' 126' ' ' LEU . 0.7 OUTLIER -80.06 -31.74 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.7 t -81.63 -35.58 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -65.69 -31.88 73.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.0 mp -58.64 -45.08 90.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -69.24 -50.55 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.93 -32.23 14.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -97.79 -21.68 16.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 5.6 mm-40 -70.95 -2.44 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.83 51.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -127.89 19.59 6.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -110.8 41.67 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -157.15 117.59 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 44.9 m -104.11 37.13 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.19 -60.3 3.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.1 Cg_endo -69.8 -27.52 26.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -73.42 -36.07 65.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -47.85 82.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.748 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.2 mm? -50.87 -35.63 33.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -50.51 -44.05 56.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -75.01 -26.66 59.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.819 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.21 -35.98 76.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.748 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.5 mp -76.63 -49.01 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -52.39 -57.46 9.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 14.1 t -57.16 -24.06 51.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.73 -63.7 1.02 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' B' ' 119' ' ' ILE . 76.3 mt -54.04 -25.68 13.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.565 HD22 HD11 ' B' ' 121' ' ' ILE . 0.8 OUTLIER -82.81 -59.36 2.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.841 HD12 HD12 ' A' ' 18' ' ' LEU . 14.2 mt -49.96 -36.72 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' B' ' 116' ' ' ILE . 26.1 mt -59.97 -65.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -62.28 -24.26 67.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.565 HD11 HD22 ' B' ' 117' ' ' LEU . 3.5 mt -73.29 -44.88 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.711 ' O ' HD13 ' B' ' 126' ' ' LEU . 23.6 m-85 -80.67 -25.19 38.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.486 HG13 HD21 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -80.28 -32.44 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.5 t -81.82 -34.72 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.9 mt -64.55 -31.4 72.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.711 HD13 ' O ' ' B' ' 122' ' ' PHE . 3.4 mp -58.62 -45.19 89.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.575 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.13 -51.11 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -49.44 -32.6 12.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -97.01 -22.24 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 5.8 mm-40 -71.08 -2.36 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -130.54 20.59 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.936 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -106.47 44.93 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.097 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -157.38 116.27 3.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -103.93 36.63 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -68.99 -60.3 4.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 0.0 111.114 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.8 Cg_endo -69.76 -20.57 34.67 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -81.4 -37.55 27.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -38.37 80.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.759 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.5 mm? -51.45 -36.99 46.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -49.63 -49.49 46.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -68.51 -27.34 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -58.73 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -51.3 -59.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -50.32 -58.01 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -54.96 -31.34 60.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -69.91 -63.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.4 mt -49.54 -29.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.594 HD22 HD11 ' A' ' 21' ' ' ILE . 0.6 OUTLIER -82.54 -59.5 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD12 HD12 ' B' ' 118' ' ' LEU . 11.4 mt -50.21 -39.56 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.453 ' O ' HD13 ' A' ' 23' ' ' ILE . 26.9 mt -59.2 -66.25 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.7 OUTLIER -57.94 -26.58 62.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.594 HD11 HD22 ' A' ' 17' ' ' LEU . 5.5 mt -70.15 -53.32 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 21.4 m-85 -72.46 -25.16 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.453 HD13 ' O ' ' A' ' 19' ' ' ILE . 1.2 mp -74.49 -33.07 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 20' ' ' PHE . 38.0 t -79.08 -40.99 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.5 mt -56.83 -33.77 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 22' ' ' PHE . 3.2 mp -55.98 -44.57 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 1.2 mt -69.8 -52.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -49.53 -31.41 10.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -95.58 -25.29 16.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 11.0 mt-10 -73.44 0.81 11.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.22 49.96 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -148.65 88.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.925 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -144.24 80.57 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 2.1 mtt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -156.53 115.92 3.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 5.2 m -105.82 35.16 2.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.791 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -69.83 -60.21 3.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.717 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.791 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.9 Cg_endo -69.74 -18.6 36.99 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -82.54 -39.56 22.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.55 -35.98 75.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.757 ' O ' HD12 ' B' ' 112' ' ' ILE . 3.5 mm? -50.64 -37.24 39.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -49.38 -49.02 46.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -69.42 -26.84 64.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -56.45 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.757 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -50.97 -58.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -51.34 -57.3 9.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.9 m -56.23 -28.59 58.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.3 t -70.09 -63.05 1.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 35.9 mt -49.41 -29.41 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.568 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -82.98 -59.09 2.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.962 HD12 HD12 ' A' ' 18' ' ' LEU . 10.9 mt -51.02 -39.33 55.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.408 ' O ' HD13 ' B' ' 123' ' ' ILE . 28.8 mt -58.46 -65.98 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.47 ' O ' HG23 ' B' ' 124' ' ' VAL . 38.2 t80 -59.39 -25.51 64.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.568 HD11 HD22 ' B' ' 117' ' ' LEU . 4.8 mt -71.16 -50.26 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.596 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.4 m-85 -75.8 -25.2 56.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.408 HD13 ' O ' ' B' ' 119' ' ' ILE . 1.2 mp -76.54 -31.39 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 120' ' ' PHE . 20.2 t -78.99 -39.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.49 -35.09 71.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.445 HD13 ' O ' ' B' ' 122' ' ' PHE . 2.7 mp -55.0 -44.55 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.464 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 1.2 mt -69.52 -52.69 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.409 ' N ' HG22 ' B' ' 127' ' ' ILE . 32.8 t-80 -49.23 -31.7 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -95.23 -25.62 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 10.7 mt-10 -73.02 0.79 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.95 50.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -149.06 87.7 1.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -144.39 77.48 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 41.5 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.768 0.318 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -154.67 116.89 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -108.58 38.32 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.98 -60.45 3.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.8 -26.58 27.25 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.638 2.226 . . . . 0.0 112.345 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -75.91 -34.14 59.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.38 -34.77 71.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.768 ' O ' HD12 ' A' ' 12' ' ' ILE . 2.6 tp -51.22 -37.9 49.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -50.2 -43.86 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -75.05 -26.79 59.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 8' ' ' LEU . 8.0 mtt -70.34 -37.33 74.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.6 mp -83.81 -44.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -60.2 -50.88 71.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -53.34 -28.37 28.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.2 t -70.86 -63.99 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' HA ' HD12 ' A' ' 19' ' ' ILE . 57.4 mt -53.12 -27.17 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.17 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD22 HD11 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -82.91 -54.05 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 22' ' ' PHE . 12.1 mt -52.0 -46.25 64.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 16' ' ' ILE . 11.9 mt -50.7 -64.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' VAL . 45.2 t80 -60.01 -33.52 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.631 HD11 HD22 ' A' ' 17' ' ' LEU . 4.5 mt -60.56 -51.17 76.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE2' HD22 ' A' ' 18' ' ' LEU . 53.6 m-85 -72.7 -50.12 26.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.543 HG13 HD11 ' B' ' 126' ' ' LEU . 1.4 mp -49.46 -36.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 20' ' ' PHE . 57.8 t -81.43 -29.88 10.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 25' ' ' LEU . 12.4 mt -71.02 -42.48 69.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.55 HD11 HG13 ' B' ' 123' ' ' ILE . 3.3 mm? -51.55 -47.05 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -67.45 -50.93 57.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -49.12 -32.65 10.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -97.26 -22.08 16.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 2.9 mm-40 -71.51 -1.62 13.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.15 49.81 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -130.18 21.88 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.761 0.315 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.5 37.8 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.776 0.322 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -154.81 116.64 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 18.0 m -109.08 38.33 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -69.72 -60.39 3.84 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.62 0.724 . . . . 0.0 111.156 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 54.0 Cg_endo -69.73 -26.82 27.31 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.674 2.249 . . . . 0.0 112.381 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -75.99 -33.92 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.42 -34.8 71.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.757 ' O ' HD12 ' B' ' 112' ' ' ILE . 2.7 tp -51.32 -38.24 51.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -50.46 -43.23 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -75.54 -27.21 58.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . 0.423 ' SD ' HD12 ' B' ' 108' ' ' LEU . 8.3 mtt -69.67 -37.17 76.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.757 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -84.31 -44.21 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -60.43 -50.01 75.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 6.8 t -53.8 -28.95 38.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.195 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.2 t -70.62 -64.27 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.548 ' HA ' HD12 ' B' ' 119' ' ' ILE . 57.5 mt -52.58 -28.04 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.651 HD22 HD11 ' B' ' 121' ' ' ILE . 0.4 OUTLIER -82.38 -54.31 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.581 HD22 ' CE2' ' B' ' 122' ' ' PHE . 11.9 mt -50.98 -45.91 61.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 116' ' ' ILE . 10.8 mt -51.63 -64.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -31.05 70.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.651 HD11 HD22 ' B' ' 117' ' ' LEU . 4.3 mt -62.97 -53.01 52.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.581 ' CE2' HD22 ' B' ' 118' ' ' LEU . 59.9 m-85 -69.65 -48.97 58.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.55 HG13 HD11 ' A' ' 26' ' ' LEU . 1.4 mp -48.73 -37.44 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.6 -30.62 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.63 -41.21 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.543 HD11 HG13 ' A' ' 23' ' ' ILE . 3.3 mm? -51.78 -47.54 64.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -67.36 -50.9 58.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -49.81 -32.09 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -97.17 -22.15 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.552 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 3.0 mm-40 -73.16 -0.7 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 125.99 49.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -136.19 21.82 3.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.59 40.48 2.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.832 0.348 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -153.74 116.5 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 m -117.02 36.81 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.25 -60.18 4.37 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 54.1 Cg_endo -69.74 -25.01 29.14 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -76.36 -37.49 57.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.38 -36.73 69.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.33 -37.72 56.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -49.95 -44.12 50.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -75.33 -26.65 58.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.4 mtt -69.99 -31.59 69.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.8 mp -81.82 -57.93 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.33 -54.12 29.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.8 t -55.92 -25.0 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.57 -63.99 0.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.512 ' HA ' HD12 ' A' ' 19' ' ' ILE . 65.3 mt -53.3 -26.27 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 21' ' ' ILE . 0.5 OUTLIER -83.13 -57.78 3.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 118' ' ' LEU . 12.8 mt -51.45 -35.54 40.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 16' ' ' ILE . 25.1 mt -61.24 -64.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -62.83 -24.04 67.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.587 HD11 HD22 ' A' ' 17' ' ' LEU . 4.6 mt -72.44 -53.69 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.713 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 23.3 m-85 -68.51 -52.36 33.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG12 HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.82 -51.35 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.1 t -65.97 -40.92 88.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -56.01 -38.19 70.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 22' ' ' PHE . 3.4 mm? -53.88 -50.54 66.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -66.57 -49.69 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 25.2 t60 -48.77 -34.28 11.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -94.83 -26.39 16.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 43.5 mt-10 -80.18 11.36 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 124.74 57.29 0.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 28' ' ' HIS . 23.9 t-105 -47.59 -27.96 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.704 0.288 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.8 mtm-85 -90.43 51.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 1.2 ptm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -154.78 115.57 3.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 74.9 m -117.99 37.06 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -69.88 -60.35 3.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.7 Cg_endo -69.8 -26.43 27.38 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.25 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -75.35 -35.47 61.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.42 -39.71 76.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.748 ' O ' HD12 ' B' ' 112' ' ' ILE . 1.4 mm? -57.06 -38.05 72.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -50.19 -45.77 53.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -73.06 -26.6 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.9 mtt -69.7 -32.4 70.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.748 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.7 mp -83.35 -54.79 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.27 -53.56 42.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 4.5 m -52.08 -31.0 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -69.85 -63.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.583 ' HA ' HD12 ' B' ' 119' ' ' ILE . 62.8 mt -53.43 -25.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.596 HD22 HD11 ' B' ' 121' ' ' ILE . 0.6 OUTLIER -83.1 -56.15 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.83 HD12 HD12 ' A' ' 18' ' ' LEU . 12.6 mt -52.3 -37.14 54.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' B' ' 116' ' ' ILE . 19.0 mt -60.14 -64.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -62.89 -24.2 67.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.596 HD11 HD22 ' B' ' 117' ' ' LEU . 4.4 mt -72.43 -53.49 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.71 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 23.8 m-85 -68.41 -52.25 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.432 HG12 HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -50.27 -50.52 20.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 45.1 t -67.14 -41.42 86.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.45 -37.58 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 122' ' ' PHE . 3.2 mm? -53.56 -50.06 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -66.84 -49.3 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . 0.407 ' HA ' ' HB2' ' B' ' 132' ' ' TRP . 24.0 t60 -49.1 -34.29 13.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -94.96 -26.27 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 43.0 mt-10 -79.84 11.02 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 124.7 57.37 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . 0.407 ' HB2' ' HA ' ' B' ' 128' ' ' HIS . 27.1 t-105 -47.63 -27.84 2.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.756 0.313 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -91.14 51.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 56.1 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptt? . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -154.72 116.74 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -115.06 34.91 4.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.797 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -71.86 -60.96 2.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.56 0.695 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.797 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.9 Cg_endo -69.76 -36.8 10.15 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 0.0 112.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -67.6 -24.85 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.69 -48.19 64.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -52.72 -38.05 60.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -49.5 -34.22 16.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -84.43 -32.57 24.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mpp? -69.95 -34.19 73.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.5 mp -84.27 -45.75 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -51.49 -60.45 3.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.5 t -56.48 -25.03 49.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -70.9 -64.17 0.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 19' ' ' ILE . 42.7 mt -51.94 -27.51 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.608 HD22 HD11 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -83.06 -58.26 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.811 HD12 HD12 ' B' ' 118' ' ' LEU . 12.7 mt -49.34 -35.68 19.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' A' ' 16' ' ' ILE . 22.4 mt -62.43 -64.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' HD1' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -61.05 -24.64 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.608 HD11 HD22 ' A' ' 17' ' ' LEU . 8.0 mt -74.24 -57.78 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.773 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.9 m-85 -62.29 -53.14 59.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.589 ' CG1' HD21 ' B' ' 126' ' ' LEU . 0.8 OUTLIER -49.41 -52.65 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.135 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.444 HG23 ' HD1' ' A' ' 20' ' ' PHE . 41.1 t -67.25 -34.29 68.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.92 -32.98 73.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD21 ' CG1' ' B' ' 123' ' ' ILE . 3.8 mm? -58.41 -44.78 89.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -68.88 -52.24 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -49.18 -32.1 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.23 -24.95 16.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 27' ' ' ILE . 13.5 mt-10 -73.55 0.76 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 126.2 49.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.448 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -148.1 86.0 1.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -100.58 37.4 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.743 0.306 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -155.96 115.96 3.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 17.1 m -115.79 34.55 4.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -71.43 -60.83 2.43 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.581 0.705 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.8 Cg_endo -69.72 -36.61 10.58 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -67.82 -25.19 65.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.82 -49.57 61.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.743 ' O ' HD12 ' B' ' 112' ' ' ILE . 0.9 OUTLIER -53.32 -38.03 62.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.77 -34.2 11.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . 0.584 ' O ' HG22 ' B' ' 114' ' ' THR . 6.1 t80 -84.75 -37.92 20.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -63.62 -35.57 80.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.743 HD12 ' O ' ' B' ' 108' ' ' LEU . 2.6 mp -84.22 -48.28 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.26 -59.26 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.584 HG22 ' O ' ' B' ' 110' ' ' PHE . 12.6 t -57.22 -23.54 48.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.75 -64.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 43.1 mt -52.03 -26.52 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.582 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.32 -61.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.811 HD12 HD12 ' A' ' 18' ' ' LEU . 15.2 mt -49.37 -35.72 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.426 ' CG2' HD13 ' B' ' 123' ' ' ILE . 32.6 mt -64.03 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.446 ' HD1' HG23 ' B' ' 124' ' ' VAL . 0.1 OUTLIER -59.06 -25.48 63.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.582 HD11 HD22 ' B' ' 117' ' ' LEU . 10.4 mt -71.67 -58.71 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.646 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 17.8 m-85 -62.27 -54.36 41.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.544 ' CG1' HD21 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -47.0 -53.19 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.146 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.446 HG23 ' HD1' ' B' ' 120' ' ' PHE . 41.4 t -68.4 -32.88 57.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.4 mt -64.72 -31.72 73.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.589 HD21 ' CG1' ' A' ' 23' ' ' ILE . 3.4 mm? -58.76 -43.69 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.491 ' HA ' ' HB2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -69.28 -52.34 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -49.32 -32.1 10.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -95.06 -25.04 16.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' B' ' 127' ' ' ILE . 14.5 mt-10 -73.35 0.43 12.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 126.33 49.04 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -147.56 85.77 1.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.752 0.31 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -104.21 39.1 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 52.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.737 0.303 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -154.35 115.08 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -99.01 35.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.761 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -69.75 -60.33 3.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 53.7 Cg_endo -69.79 -24.29 29.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.368 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -77.39 -35.64 54.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -45.31 93.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.0 mm? -55.98 -38.06 69.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -50.59 -41.83 54.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' O ' HG22 ' A' ' 14' ' ' THR . 40.6 t80 -77.61 -25.93 50.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.2 mtm -75.02 -24.93 58.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.67 ' O ' HD12 ' A' ' 16' ' ' ILE . 3.4 mt -80.42 -55.54 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -52.17 -48.87 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 10' ' ' PHE . 15.2 t -63.51 -21.91 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -63.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 12' ' ' ILE . 3.8 mp -52.96 -27.01 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.529 HD22 HD11 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -83.02 -58.99 2.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.787 HD12 HD12 ' B' ' 118' ' ' LEU . 12.1 mt -49.01 -37.98 22.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.491 ' O ' HD13 ' A' ' 23' ' ' ILE . 25.5 mt -60.35 -66.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -58.67 -28.81 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.529 HD11 HD22 ' A' ' 17' ' ' LEU . 4.3 mt -66.81 -51.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.609 ' CZ ' HD22 ' A' ' 18' ' ' LEU . 22.5 m-85 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.663 HG13 HD21 ' B' ' 126' ' ' LEU . 1.3 mp -67.17 -35.88 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 20' ' ' PHE . 40.7 t -71.52 -45.43 68.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.2 mt -51.24 -36.55 42.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.687 HD21 HG13 ' B' ' 123' ' ' ILE . 3.2 mm? -53.83 -57.93 9.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -59.0 -49.7 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -49.08 -32.24 9.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.1 -20.33 17.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -68.88 -5.88 23.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.25 46.86 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -117.54 18.55 14.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -110.23 38.05 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 52.9 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 69.4 mtm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.777 0.323 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -154.43 115.13 3.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 3.0 p -99.16 35.39 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.774 ' HB3' ' HD3' ' B' ' 105' ' ' PRO . . . -70.14 -60.31 3.58 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.555 0.693 . . . . 0.0 111.082 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' PRO . . . . . 0.774 ' HD3' ' HB3' ' B' ' 104' ' ' ALA . 53.9 Cg_endo -69.76 -25.11 28.92 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -76.39 -35.66 58.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.71 -45.86 90.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.661 ' O ' HD12 ' B' ' 112' ' ' ILE . 4.1 mm? -56.25 -38.46 71.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -50.37 -41.92 52.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' PHE . . . . . 0.443 ' O ' HG22 ' B' ' 114' ' ' THR . 47.3 t80 -77.53 -25.99 50.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' MET . . . . . . . . . . . . . 7.5 mtm -73.12 -23.49 60.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . 0.668 ' O ' HD12 ' B' ' 116' ' ' ILE . 3.3 mt -82.23 -56.35 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -51.8 -49.15 63.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 110' ' ' PHE . 14.9 t -62.92 -22.17 66.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -64.04 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . 0.668 HD12 ' O ' ' B' ' 112' ' ' ILE . 3.9 mp -53.4 -26.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LEU . . . . . 0.553 HD22 HD11 ' B' ' 121' ' ' ILE . 0.7 OUTLIER -83.34 -58.88 2.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . 0.787 HD12 HD12 ' A' ' 18' ' ' LEU . 12.5 mt -49.87 -38.18 34.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ILE . . . . . 0.464 HD12 ' HA ' ' B' ' 116' ' ' ILE . 25.3 mt -58.72 -65.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . 0.51 ' O ' HG23 ' B' ' 124' ' ' VAL . 53.9 t80 -59.96 -26.86 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ILE . . . . . 0.553 HD11 HD22 ' B' ' 117' ' ' LEU . 4.6 mt -68.98 -49.43 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' PHE . . . . . 0.668 ' CZ ' HD22 ' B' ' 118' ' ' LEU . 22.0 m-85 -75.64 -32.55 60.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ILE . . . . . 0.687 HG13 HD21 ' A' ' 26' ' ' LEU . 1.2 mp -67.43 -37.3 78.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 120' ' ' PHE . 24.9 t -70.97 -43.75 76.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 16.8 mt -53.14 -36.31 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.663 HD21 HG13 ' A' ' 23' ' ' ILE . 2.8 mm? -53.83 -56.79 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.401 ' HA ' ' HG2' ' B' ' 130' ' ' GLU . 0.6 OUTLIER -60.02 -49.49 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -49.79 -30.69 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -98.7 -21.31 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' GLU . . . . . 0.401 ' HG2' ' HA ' ' B' ' 127' ' ' ILE . 0.4 OUTLIER -68.75 -5.68 22.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.35 46.14 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.08 18.42 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -109.68 39.43 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.961 . . . . . . . . 0 0 . 1 stop_ save_